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

Systemtic Name: 7-[[4-(4-fluorophenyl)carbonylphenyl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[4-(4-fluorobenzoyl)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[4-[(4-fluorophenyl)-oxomethyl]phenyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[4-(4-fluorobenzoyl)phenyl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-(4-fluorobenzoyl)benzyl]-1,3-dimethyl-xanthine Formula: C21H17FN4O3 MolecularWeight: 392.383083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN4O3/c1-24-19-17(20(28)25(2)21(24)29)26(12-23-19)11-13-3-5-14(6-4-13)18(27)15-7-9-16(22)10-8-15/h3-10,12H,11H2,1-2H3