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

Systemtic Name: 7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-8-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-8-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-8-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-8-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-(4-chlorobenzoyl)benzyl]-8-ethyl-1,3-dimethyl-xanthine Formula: C23H21ClN4O3 MolecularWeight: 436.89084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C23H21ClN4O3/c1-4-18-25-21-19(22(30)27(3)23(31)26(21)2)28(18)13-14-5-7-15(8-6-14)20(29)16-9-11-17(24)12-10-16/h5-12H,4,13H2,1-3H3