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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)N(C1=O)C

InChI

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