cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/uumonzcbfunoqj-uhfffaoysa-n.1
title: TMG3trphen
title: InChI=1S/C33H48N10/c1-37(2)31(38(3)4)34-25-19-13-16-22-28(25)43(29-23-17-14-20-26(29)35-32(39(5)6)40(7)8)30-24-18-15-21-27(30)36-33(41(9)10)42(11)12/h13-24H,1-12H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C33H48N10/c1-37(2)31(38(3)4)34-25-19-13-16-22-28(25)43(29-23-17-14-20-26(29)35-32(39(5)6)40(7)8)30-24-18-15-21-27(30)36-33(41(9)10)42(11)12/h13-24H,1-12H3, and canonical SMILES descriptor[cheminf_000007]: CN(C(=Nc1ccccc1N(c1ccccc1N=C(N(C)C)N(C)C)c1ccccc1N=C(N(C)C)N(C)C)N(C)C)C, and by the IUPAC name[cheminf_000107]: 2-[2-[2-[bis(dimethylamino)methylideneamino]-N-[2-[bis(dimethylamino)methylideneamino]phenyl]anilino]phenyl]-1,1,3,3-tetramethylguanidine.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-46484

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/rvaboxuhhyelgq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C31H30N6.Cu.F6P/c1-21-15-17-23-9-7-13-27(29(23)32-21)37(28-14-8-10-24-18-16-22(2)33-30(24)28)26-12-6-5-11-25(26)34-31-35(3)19-20-36(31)4;;1-7(2,3,4,5)6/h5-18H,19-20H2,1-4H3;;/q;;-1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/rvaboxuhhyelgq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C31H30N6.Cu.F6P/c1-21-15-17-23-9-7-13-27(29(23)32-21)37(28-14-8-10-24-18-16-22(2)33-30(24)28)26-12-6-5-11-25(26)34-31-35(3)19-20-36(31)4;;1-7(2,3,4,5)6/h5-18H,19-20H2,1-4H3;;/q;;-1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/rvaboxuhhyelgq-uhfffaoysa-n.1
title: [Cu{N(QuMe)2(PhDMEG)}]PF6
title: InChI=1S/C31H30N6.Cu.F6P/c1-21-15-17-23-9-7-13-27(29(23)32-21)37(28-14-8-10-24-18-16-22(2)33-30(24)28)26-12-6-5-11-25(26)34-31-35(3)19-20-36(31)4;;1-7(2,3,4,5)6/h5-18H,19-20H2,1-4H3;;/q;;-1

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C31H30N6.Cu.F6P/c1-21-15-17-23-9-7-13-27(29(23)32-21)37(28-14-8-10-24-18-16-22(2)33-30(24)28)26-12-6-5-11-25(26)34-31-35(3)19-20-36(31)4;;1-7(2,3,4,5)6/h5-18H,19-20H2,1-4H3;;/q;;-1, and canonical SMILES descriptor[cheminf_000007]: F[P-](F)(F)(F)(F)F.Cc1ccc2c(n1)c(ccc2)N(c1cccc2c1nc(C)cc2)c1ccccc1N=C1N(C)CCN1C.[Cu], and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-46475

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/rvaboxuhhyelgq-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C31H30N6.Cu.F6P/c1-21-15-17-23-9-7-13-27(29(23)32-21)37(28-14-8-10-24-18-16-22(2)33-30(24)28)26-12-6-5-11-25(26)34-31-35(3)19-20-36(31)4;;1-7(2,3,4,5)6/h5-18H,19-20H2,1-4H3;;/q;;-1

description: dataset for mass spectrometry (MS)
DOI: 10.14272/rvaboxuhhyelgq-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C31H30N6.Cu.F6P/c1-21-15-17-23-9-7-13-27(29(23)32-21)37(28-14-8-10-24-18-16-22(2)33-30(24)28)26-12-6-5-11-25(26)34-31-35(3)19-20-36(31)4;;1-7(2,3,4,5)6/h5-18H,19-20H2,1-4H3;;/q;;-1

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.60681/whg-dataset-1392
title: Central African Republic Settlements

description: Central African Republic Settlements as compiled by the United Nations Office for the Coordination of Humanitarian Affairs (OCHA) publicly available via the Humanitarian Data Exchange. The dataset shows the villages and towns of Central African Republic. Data was transferred to LP-TSV format and cleaned. Duplicate names, however close together, are distinct settlements according to the data.
DOI: 10.60681/whg-dataset-1429
title: Mali Settlements

description: Mali Settlements as compiled by United Nations Office for the Coordination of Humanitarian Affairs (OCHA) publicly available via the Humanitarian Data Exchange. Data transferred to LP-TSV format and cleaned. Duplicate names, however close together, are distinct settlements according to the data.
DOI: 10.14272/qnrjisyqrqabgy-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-nitro-N,N-bis(2-nitrophenyl)aniline)
title: InChI=1S/C18H12N4O6/c23-20(24)16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)21(25)26)15-9-3-6-12-18(15)22(27)28/h1-12H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.60681/whg-dataset-1435
title: Niger Settlements

description: Niger Settlements as compiled by United Nations Office for the Coordination of Humanitarian Affairs (OCHA) publicly available via the Humanitarian Data Exchange. Data transferred to LP-TSV format and cleaned. Duplicate names, however close together, are distinct settlements according to the data.
DOI: 10.60681/whg-dataset-1481
title: Eritrea Settlements

description: Eritrea Settlements as compiled by United Nations Office for the Coordination of Humanitarian Affairs (OCHA) publicly available via the Humanitarian Data Exchange. Data transferred to LP-TSV format and cleaned. Duplicate names, however close together, are distinct settlements according to the data.
DOI: 10.60681/whg-dataset-1439
title: Ghana Settlements

description: Ghana Settlements as compiled by United Nations Office for the Coordination of Humanitarian Affairs (OCHA) publicly available via the Humanitarian Data Exchange. Data transferred to LP-TSV format and cleaned. Duplicate names, however close together, are distinct settlements according to the data.
DOI: 10.14272/vxokxghyocvqiw-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C22H20N4/c1-15-13-14-16-7-6-12-21(22(16)25-15)26(19-10-4-2-8-17(19)23)20-11-5-3-9-18(20)24/h2-14H,23-24H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.60681/whg-dataset-1209
title: Chinese Counties, 1911

description: The China Historical GIS (CHGIS) project has produced a comprehensive series of datasets related to the administrative geography of Chinese History. This dataset contains 1,985 counties for the year 1911. CHGIS was an international collaborative effort made up of research and technical teams, a management committee, and an advisory committee. The members who participated are recorded here: https://chgis.fairbank.fas.harvard.edu/pages/members/
DOI: 10.60681/whg-dataset-979
title: Poland provinces in the 16th century

description: 23 provinces
DOI: 10.60681/whg-dataset-1212
title: Chinese Towns, 1911

description: The China Historical GIS (CHGIS) project has produced a comprehensive series of datasets related to the administrative geography of Chinese History. This dataset contains 1,985 counties for the year 1911. CHGIS was an international collaborative effort made up of research and technical teams, a management committee, and an advisory committee. The members who participated are recorded here: https://chgis.fairbank.fas.harvard.edu/pages/members/
DOI: 10.60681/whg-dataset-1438
title: Exploring Slave Trade in Asia

description: The Exploring Slave Trade in Asia Dataset presents 474 records with some geographic coordinates. Each entry provides the title, name variants, start year, type, aat code, and a description field which contains extra information including citations.
DOI: 10.14272/ixjyhvdogbsyiu-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C26H22N4/c1-17-13-15-19-7-5-11-23(25(19)28-17)30(22-10-4-3-9-21(22)27)24-12-6-8-20-16-14-18(2)29-26(20)24/h3-16H,27H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/qnrjisyqrqabgy-uhfffaoysa-n.2
title: tris(2-nitrophenyl)amine
title: InChI=1S/C18H12N4O6/c23-20(24)16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)21(25)26)15-9-3-6-12-18(15)22(27)28/h1-12H

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C18H12N4O6/c23-20(24)16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)21(25)26)15-9-3-6-12-18(15)22(27)28/h1-12H, and canonical SMILES descriptor[cheminf_000007]: [O-][N+](=O)c1ccccc1N(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-], and by the IUPAC name[cheminf_000107]: 2-nitro-N,N-bis(2-nitrophenyl)aniline.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-46549

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/cugpleuniagpdg-uhfffaoysa-n.2
title: tris(2-aminophenyl)amine
title: InChI=1S/C18H18N4/c19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H,19-21H2

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C18H18N4/c19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H,19-21H2, and canonical SMILES descriptor[cheminf_000007]: Nc1ccccc1N(c1ccccc1N)c1ccccc1N, and by the IUPAC name[cheminf_000107]: 2-N,2-N-bis(2-aminophenyl)benzene-1,2-diamine.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-46532

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/cugpleuniagpdg-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-N,2-N-bis(2-aminophenyl)benzene-1,2-diamine)
title: InChI=1S/C18H18N4/c19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H,19-21H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/vxokxghyocvqiw-uhfffaoysa-n.1
title: N1-(2-aminophenyl)-N1-(2-methylquinolin-8-yl)benzene-1,2-diamine
title: InChI=1S/C22H20N4/c1-15-13-14-16-7-6-12-21(22(16)25-15)26(19-10-4-2-8-17(19)23)20-11-5-3-9-18(20)24/h2-14H,23-24H2,1H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C22H20N4/c1-15-13-14-16-7-6-12-21(22(16)25-15)26(19-10-4-2-8-17(19)23)20-11-5-3-9-18(20)24/h2-14H,23-24H2,1H3, and canonical SMILES descriptor[cheminf_000007]: Cc1ccc2c(n1)c(ccc2)N(c1ccccc1N)c1ccccc1N, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-46546

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.15468/dl.78dncs
title: Occurrence Download

description: A dataset containing 3618 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Limosella australis R.Br."
 ]
}

 The dataset includes 3618 records from 142 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0016300-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/ixjyhvdogbsyiu-uhfffaoysa-n.1
title: N1,N1-bis(2-methylquinolin-8-yl)benzene-1,2-diamine
title: InChI=1S/C26H22N4/c1-17-13-15-19-7-5-11-23(25(19)28-17)30(22-10-4-3-9-21(22)27)24-12-6-8-20-16-14-18(2)29-26(20)24/h3-16H,27H2,1-2H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C26H22N4/c1-17-13-15-19-7-5-11-23(25(19)28-17)30(22-10-4-3-9-21(22)27)24-12-6-8-20-16-14-18(2)29-26(20)24/h3-16H,27H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: Cc1ccc2c(n1)c(ccc2)N(c1cccc2c1nc(C)cc2)c1ccccc1N, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-46543

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/jbuoibqafzjhha-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C32H40N8/c1-23-21-22-24-15-14-20-29(30(24)33-23)40(27-18-12-10-16-25(27)34-31(36(2)3)37(4)5)28-19-13-11-17-26(28)35-32(38(6)7)39(8)9/h10-22H,1-9H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/jbuoibqafzjhha-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C32H40N8/c1-23-21-22-24-15-14-20-29(30(24)33-23)40(27-18-12-10-16-25(27)34-31(36(2)3)37(4)5)28-19-13-11-17-26(28)35-32(38(6)7)39(8)9/h10-22H,1-9H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/jbuoibqafzjhha-uhfffaoysa-n.1
title: N(QuMe)(PhTMG)2
title: InChI=1S/C32H40N8/c1-23-21-22-24-15-14-20-29(30(24)33-23)40(27-18-12-10-16-25(27)34-31(36(2)3)37(4)5)28-19-13-11-17-26(28)35-32(38(6)7)39(8)9/h10-22H,1-9H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C32H40N8/c1-23-21-22-24-15-14-20-29(30(24)33-23)40(27-18-12-10-16-25(27)34-31(36(2)3)37(4)5)28-19-13-11-17-26(28)35-32(38(6)7)39(8)9/h10-22H,1-9H3, and canonical SMILES descriptor[cheminf_000007]: Cc1ccc2c(n1)c(ccc2)N(c1ccccc1N=C(N(C)C)N(C)C)c1ccccc1N=C(N(C)C)N(C)C, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-46529

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/jbuoibqafzjhha-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C32H40N8/c1-23-21-22-24-15-14-20-29(30(24)33-23)40(27-18-12-10-16-25(27)34-31(36(2)3)37(4)5)28-19-13-11-17-26(28)35-32(38(6)7)39(8)9/h10-22H,1-9H3

description: dataset for mass spectrometry (MS)
DOI: 10.14272/jbuoibqafzjhha-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C32H40N8/c1-23-21-22-24-15-14-20-29(30(24)33-23)40(27-18-12-10-16-25(27)34-31(36(2)3)37(4)5)28-19-13-11-17-26(28)35-32(38(6)7)39(8)9/h10-22H,1-9H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/hipsqnmtybdykc-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C31H30N6/c1-21-15-17-23-9-7-13-27(29(23)32-21)37(28-14-8-10-24-18-16-22(2)33-30(24)28)26-12-6-5-11-25(26)34-31-35(3)19-20-36(31)4/h5-18H,19-20H2,1-4H3

description: dataset for mass spectrometry (MS)
DOI: 10.14272/hipsqnmtybdykc-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C31H30N6/c1-21-15-17-23-9-7-13-27(29(23)32-21)37(28-14-8-10-24-18-16-22(2)33-30(24)28)26-12-6-5-11-25(26)34-31-35(3)19-20-36(31)4/h5-18H,19-20H2,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/hipsqnmtybdykc-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C31H30N6/c1-21-15-17-23-9-7-13-27(29(23)32-21)37(28-14-8-10-24-18-16-22(2)33-30(24)28)26-12-6-5-11-25(26)34-31-35(3)19-20-36(31)4/h5-18H,19-20H2,1-4H3

description: dataset for infrared absorption spectroscopy (IR)