7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-8-methoxy-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-8-methoxy-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-8-methoxy-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-8-methoxy-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-8-methoxy-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-(4-chlorobenzoyl)benzyl]-8-methoxy-1,3-dimethyl-xanthine Formula: C22H19ClN4O4 MolecularWeight: 438.86366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O4/c1-25-19-17(20(29)26(2)22(25)30)27(21(24-19)31-3)12-13-4-6-14(7-5-13)18(28)15-8-10-16(23)11-9-15/h4-11H,12H2,1-3H3