7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-1,3-dimethyl-9H-purine-2,6,8-trione

Systemtic Name: 7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-1,3-dimethyl-9H-purine-2,6,8-trione Openeye Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-1,3-dimethyl-9H-purine-2,6,8-trione CAS Name: 7-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-1,3-dimethyl-9H-purine-2,6,8-trione IUPAC Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-1,3-dimethyl-9H-purine-2,6,8-trione Traditional Name: 7-[4-(4-chlorobenzoyl)benzyl]-1,3-dimethyl-9H-purine-2,6,8-trione Formula: C21H17ClN4O4 MolecularWeight: 424.83708

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H17ClN4O4/c1-24-18-16(19(28)25(2)21(24)30)26(20(29)23-18)11-12-3-5-13(6-4-12)17(27)14-7-9-15(22)10-8-14/h3-10H,11H2,1-2H3,(H,23,29)