2-[[4-(4-chlorophenyl)carbonylphenyl]methylsulfanyl]-1,7-dimethyl-purin-6-one

Systemtic Name: 2-[[4-(4-chlorophenyl)carbonylphenyl]methylsulfanyl]-1,7-dimethyl-purin-6-one Openeye Name: 2-[[4-(4-chlorobenzoyl)phenyl]methylsulfanyl]-1,7-dimethyl-purin-6-one CAS Name: 2-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methylthio]-1,7-dimethyl-6-purinone IUPAC Name: 2-[[4-(4-chlorobenzoyl)phenyl]methylsulfanyl]-1,7-dimethylpurin-6-one Traditional Name: 2-[[4-(4-chlorobenzoyl)benzyl]thio]-1,7-dimethyl-purin-6-one Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C21H17ClN4O2S/c1-25-12-23-19-17(25)20(28)26(2)21(24-19)29-11-13-3-5-14(6-4-13)18(27)15-7-9-16(22)10-8-15/h3-10,12H,11H2,1-2H3