Molecule ID: 72549028

IUPAC Name: 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(3,5-dichlorophenyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate

Description: The molecule is a pyridopyrimidine that is 9-methyl-2,4-dioxo-2H-pyrido[1,2-a]pyrimidine substituted at positions 1 and 3 by (2-chloro-1,3-thiazol-5-yl)methyl and 3,5-dichlorophenyl. A mesionic insecticide used for control of rice hoppers. It has a role as an agrochemical. It is an iminium betaine, an organochlorine insecticide, a dichlorobenzene, a member of 1,3-thiazoles and a pyridopyrimidine.

SMILES: Cc1ccc[n+]2c([O-])c(-c3cc(Cl)cc(Cl)c3)c(=O)n(Cc3cnc(Cl)s3)c12

SELFIES: [C][C][=C][C][=C][N+1][C][Branch1][C][O-1][=C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][Ring2][Ring1][O][=Ring2][Ring1][#Branch1]

InChI: InChI=1S/C19H12Cl3N3O2S/c1-10-3-2-4-24-16(10)25(9-14-8-23-19(22)28-14)18(27)15(17(24)26)11-5-12(20)7-13(21)6-11/h2-8H,9H2,1H3

Molecular Properties:
- Polar Surface Area: 87.5 Ų
- LogP: 5.4