4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]quinazoline-7-carboxylic acid

Systemtic Name: 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]quinazoline-7-carboxylic acid Openeye Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]quinazoline-7-carboxylic acid CAS Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-7-quinazolinecarboxylic acid IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]quinazoline-7-carboxylic acid Traditional Name: 4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]quinazoline-7-carboxylic acid Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC=NC4=C3C=CC(=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC=NC4=C3C=CC(=C4)C(=O)O

InChI

InChI=1S/C20H17N5O3/c1-12-17(19(26)25(24(12)2)14-6-4-3-5-7-14)23-18-15-9-8-13(20(27)28)10-16(15)21-11-22-18/h3-11H,1-2H3,(H,27,28)(H,21,22,23)