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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

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