3-[[5-[(4-ethylphenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[5-[(4-ethylphenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[5-[(4-ethylphenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[5-[(4-ethylphenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 3-[[5-[(4-ethylphenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[5-(4-ethylbenzyl)-4-hydroxy-6-keto-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(N=C(NC2=O)NC3=CC=CC(=C3)C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(N=C(NC2=O)NC3=CC=CC(=C3)C(=O)O)O

InChI

InChI=1S/C20H19N3O4/c1-2-12-6-8-13(9-7-12)10-16-17(24)22-20(23-18(16)25)21-15-5-3-4-14(11-15)19(26)27/h3-9,11H,2,10H2,1H3,(H,26,27)(H3,21,22,23,24,25)