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

Systemtic Name: 4-[2-[5-[(4-ethylphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]hydrazinyl]benzoic acid Openeye Name: 4-[2-[5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]hydrazino]benzoic acid CAS Name: 4-[[5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]hydrazo]benzoic acid IUPAC Name: 4-[2-[5-[(4-ethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]hydrazinyl]benzoic acid Traditional Name: 4-[N'-[5-(4-ethylbenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]hydrazino]benzoic acid Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(NC(=NC2=O)NNC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(NC(=NC2=O)NNC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H22N4O3/c1-3-14-4-6-15(7-5-14)12-18-13(2)22-21(23-19(18)26)25-24-17-10-8-16(9-11-17)20(27)28/h4-11,24H,3,12H2,1-2H3,(H,27,28)(H2,22,23,25,26)