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

Systemtic Name: 7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-3-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-3-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 7-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-3-methyl-2-(methylthio)-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-3-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 7-[4-(4-chlorobenzoyl)benzyl]-3-methyl-2-(methylthio)pyrrolo[2,3-d]pyrimidin-4-one Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SC)N(C=C2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=O)C2=C(N=C1SC)N(C=C2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN3O2S/c1-25-21(28)18-11-12-26(20(18)24-22(25)29-2)13-14-3-5-15(6-4-14)19(27)16-7-9-17(23)10-8-16/h3-12H,13H2,1-2H3