4-[[5-[(4-fluorophenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[5-[(4-fluorophenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[5-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[5-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 4-[[5-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[5-(4-fluorobenzyl)-4-hydroxy-6-keto-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C18H14FN3O4 MolecularWeight: 355.319863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(N=C(NC2=O)NC3=CC=C(C=C3)C(=O)O)O)F

Isomeric SMILES

C1=CC(=CC=C1CC2=C(N=C(NC2=O)NC3=CC=C(C=C3)C(=O)O)O)F

InChI

InChI=1S/C18H14FN3O4/c19-12-5-1-10(2-6-12)9-14-15(23)21-18(22-16(14)24)20-13-7-3-11(4-8-13)17(25)26/h1-8H,9H2,(H,25,26)(H3,20,21,22,23,24)