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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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