7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-2-methylsulfanyl-1H-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-2-methylsulfanyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-2-methylsulfanyl-1H-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 7-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-2-(methylthio)-1H-pyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-2-methylsulfanyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 7-[4-(4-chlorobenzoyl)benzyl]-2-(methylthio)-1H-pyrrolo[2,3-d]pyrimidin-4-one Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)N(C=C2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)N(C=C2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClN3O2S/c1-28-21-23-19-17(20(27)24-21)10-11-25(19)12-13-2-4-14(5-3-13)18(26)15-6-8-16(22)9-7-15/h2-11H,12H2,1H3,(H,23,24,27)