2-[[5-methyl-2-(2-methylphenyl)-4-(4-oxidanylidene-1H-quinazolin-6-yl)pyrazol-3-yl]amino]benzoic acid

Systemtic Name: 2-[[5-methyl-2-(2-methylphenyl)-4-(4-oxidanylidene-1H-quinazolin-6-yl)pyrazol-3-yl]amino]benzoic acid Openeye Name: 2-[[5-methyl-2-(o-tolyl)-4-(4-oxo-1H-quinazolin-6-yl)pyrazol-3-yl]amino]benzoic acid CAS Name: 2-[[5-methyl-2-(2-methylphenyl)-4-(4-oxo-1H-quinazolin-6-yl)-3-pyrazolyl]amino]benzoic acid IUPAC Name: 2-[[5-methyl-2-(2-methylphenyl)-4-(4-oxo-1H-quinazolin-6-yl)pyrazol-3-yl]amino]benzoic acid Traditional Name: 2-[[4-(4-keto-1H-quinazolin-6-yl)-5-methyl-2-(o-tolyl)pyrazol-3-yl]amino]benzoic acid Formula: C26H21N5O3 MolecularWeight: 451.47664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=N2)C)C3=CC4=C(C=C3)NC=NC4=O)NC5=CC=CC=C5C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=N2)C)C3=CC4=C(C=C3)NC=NC4=O)NC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C26H21N5O3/c1-15-7-3-6-10-22(15)31-24(29-21-9-5-4-8-18(21)26(33)34)23(16(2)30-31)17-11-12-20-19(13-17)25(32)28-14-27-20/h3-14,29H,1-2H3,(H,33,34)(H,27,28,32)