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

Systemtic Name: 8-[[4-(2,4-dichlorophenyl)carbonylphenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[[4-(2,4-dichlorobenzoyl)phenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[4-[(2,4-dichlorophenyl)-oxomethyl]phenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[4-(2,4-dichlorobenzoyl)phenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[4-(2,4-dichlorobenzoyl)benzyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C21H16Cl2N4O3 MolecularWeight: 443.28274

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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