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

Systemtic Name: 7-[[4-(2,4-dichlorophenyl)carbonylphenyl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[4-(2,4-dichlorobenzoyl)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[4-[(2,4-dichlorophenyl)-oxomethyl]phenyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[4-(2,4-dichlorobenzoyl)phenyl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-(2,4-dichlorobenzoyl)benzyl]-1,3-dimethyl-xanthine Formula: C21H16Cl2N4O3 MolecularWeight: 443.28274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16Cl2N4O3/c1-25-19-17(20(29)26(2)21(25)30)27(11-24-19)10-12-3-5-13(6-4-12)18(28)15-8-7-14(22)9-16(15)23/h3-9,11H,10H2,1-2H3