7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-2-methylsulfanyl-3-propyl-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-2-methylsulfanyl-3-propyl-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-2-methylsulfanyl-3-propyl-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 7-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-2-(methylthio)-3-propyl-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-2-methylsulfanyl-3-propylpyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 7-[4-(4-chlorobenzoyl)benzyl]-2-(methylthio)-3-propyl-pyrrolo[2,3-d]pyrimidin-4-one Formula: C24H22ClN3O2S MolecularWeight: 451.96838

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C1SC)N(C=C2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCN1C(=O)C2=C(N=C1SC)N(C=C2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H22ClN3O2S/c1-3-13-28-23(30)20-12-14-27(22(20)26-24(28)31-2)15-16-4-6-17(7-5-16)21(29)18-8-10-19(25)11-9-18/h4-12,14H,3,13,15H2,1-2H3