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

Systemtic Name: 5-[[5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[5-(4-ethoxybenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]amino]-2-hydroxy-benzoic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-3-29-15-7-4-13(5-8-15)10-16-12(2)22-21(24-19(16)26)23-14-6-9-18(25)17(11-14)20(27)28/h4-9,11,25H,3,10H2,1-2H3,(H,27,28)(H2,22,23,24,26)