Molecule ID: 135433549

IUPAC Name: 2-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

Description: The molecule is a 7-deazaguanosine ribonucleoside that has 7-carbamoyl-7-deazaguanine as the nucleobase. It is present in archaeal tRNA and has also been found in bacterial DNA. It is a 7-deazaguanine ribonucleoside and a primary carboxamide. It derives from a 7-carboxy-7-deazaguanine and an archaeosine.

SMILES: N=C(O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2[nH]c(=N)nc(O)c12

SELFIES: [N][=C][Branch1][C][O][C][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][NH1][C][=Branch1][C][=N][N][=C][Branch1][C][O][C][Ring2][Ring1][Ring2][=Ring1][Branch2]

InChI: InChI=1S/C12H15N5O6/c13-8(21)3-1-17(9-5(3)10(22)16-12(14)15-9)11-7(20)6(19)4(2-18)23-11/h1,4,6-7,11,18-20H,2H2,(H2,13,21)(H3,14,15,16,22)/t4-,6-,7-,11-/m1/s1

Molecular Properties:
- Polar Surface Area: 185.0 Ų
- LogP: -3.5