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

Systemtic Name: 7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-1,3,8-trimethyl-purine-2,6-dione Openeye Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-1,3,8-trimethyl-purine-2,6-dione CAS Name: 7-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-1,3,8-trimethylpurine-2,6-dione IUPAC Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-1,3,8-trimethylpurine-2,6-dione Traditional Name: 7-[4-(4-chlorobenzoyl)benzyl]-1,3,8-trimethyl-xanthine Formula: C22H19ClN4O3 MolecularWeight: 422.86426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC1=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/C22H19ClN4O3/c1-13-24-20-18(21(29)26(3)22(30)25(20)2)27(13)12-14-4-6-15(7-5-14)19(28)16-8-10-17(23)11-9-16/h4-11H,12H2,1-3H3