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

Systemtic Name: 7-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[2-(4-fluorophenyl)oxazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[2-(4-fluorophenyl)-4-oxazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[2-(4-fluorophenyl)oxazol-4-yl]methyl]-1,3-dimethyl-xanthine Formula: C17H14FN5O3 MolecularWeight: 355.323163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=COC(=N3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=COC(=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C17H14FN5O3/c1-21-14-13(16(24)22(2)17(21)25)23(9-19-14)7-12-8-26-15(20-12)10-3-5-11(18)6-4-10/h3-6,8-9H,7H2,1-2H3