2-[(7-methyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(7-methyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-2-yl)carbonylamino]benzoic acid Openeye Name: 2-[(7-methyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid CAS Name: 2-[[(7-methyl-5-phenyl-2-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid Traditional Name: 2-[(7-methyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoic acid Formula: C21H16N4O3 MolecularWeight: 372.37674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC(=NN12)C(=O)NC3=CC=CC=C3C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC2=CC(=NN12)C(=O)NC3=CC=CC=C3C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O3/c1-13-11-17(14-7-3-2-4-8-14)22-19-12-18(24-25(13)19)20(26)23-16-10-6-5-9-15(16)21(27)28/h2-12H,1H3,(H,23,26)(H,27,28)