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

Systemtic Name: 8-[[3-(4-chlorophenyl)carbonylphenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[[3-(4-chlorobenzoyl)phenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[3-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[3-(4-chlorobenzoyl)phenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[3-(4-chlorobenzoyl)benzyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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