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

Systemtic Name: 7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-3-methylpurine-2,6-dione Traditional Name: 7-[4-(4-chlorobenzoyl)benzyl]-3-methyl-xanthine Formula: C20H15ClN4O3 MolecularWeight: 394.8111

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H15ClN4O3/c1-24-18-16(19(27)23-20(24)28)25(11-22-18)10-12-2-4-13(5-3-12)17(26)14-6-8-15(21)9-7-14/h2-9,11H,10H2,1H3,(H,23,27,28)