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

Systemtic Name: 8-chloranyl-7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[[4-(4-chlorobenzoyl)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[[4-(4-chlorobenzoyl)phenyl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[4-(4-chlorobenzoyl)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)Cl)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(=N2)Cl)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

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