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

Systemtic Name: 7-[[3-(4-chlorophenyl)carbonylphenyl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[3-(4-chlorobenzoyl)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[3-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[3-(4-chlorobenzoyl)phenyl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(4-chlorobenzoyl)benzyl]-1,3-dimethyl-xanthine Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O3/c1-24-19-17(20(28)25(2)21(24)29)26(12-23-19)11-13-4-3-5-15(10-13)18(27)14-6-8-16(22)9-7-14/h3-10,12H,11H2,1-2H3