2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-chloranyl-3-methyl-phenyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-chloranyl-3-methyl-phenyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-chloro-3-methyl-phenyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-(4-chloro-3-methylphenyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-chloro-3-methylphenyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-(4-chloro-3-methyl-phenyl)thieno[3,2-d]pyrimidin-4-one Formula: C21H15ClN4OS2 MolecularWeight: 438.953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C3=C(C=CS3)N=C2SCC4=NC5=CC=CC=C5N4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C3=C(C=CS3)N=C2SCC4=NC5=CC=CC=C5N4)Cl

InChI

InChI=1S/C21H15ClN4OS2/c1-12-10-13(6-7-14(12)22)26-20(27)19-17(8-9-28-19)25-21(26)29-11-18-23-15-4-2-3-5-16(15)24-18/h2-10H,11H2,1H3,(H,23,24)