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

Systemtic Name: 3-[[5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 3-[[5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[5-(4-ethoxybenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-3-28-17-9-7-14(8-10-17)11-18-13(2)22-21(24-19(18)25)23-16-6-4-5-15(12-16)20(26)27/h4-10,12H,3,11H2,1-2H3,(H,26,27)(H2,22,23,24,25)