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

Systemtic Name: 4-[[5-[(4-ethylphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 4-[[5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[5-(4-ethylbenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-3-14-4-6-15(7-5-14)12-18-13(2)22-21(24-19(18)25)23-17-10-8-16(9-11-17)20(26)27/h4-11H,3,12H2,1-2H3,(H,26,27)(H2,22,23,24,25)