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

Systemtic Name: 3-[[5-[(4-ethoxyphenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[5-[(4-ethoxyphenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[5-[(4-ethoxyphenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 3-[[5-[(4-ethoxyphenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[5-(4-ethoxybenzyl)-4-hydroxy-6-keto-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)NC3=CC=CC(=C3)C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)NC3=CC=CC(=C3)C(=O)O)O

InChI

InChI=1S/C20H19N3O5/c1-2-28-15-8-6-12(7-9-15)10-16-17(24)22-20(23-18(16)25)21-14-5-3-4-13(11-14)19(26)27/h3-9,11H,2,10H2,1H3,(H,26,27)(H3,21,22,23,24,25)