4-[[4-[5-(4-methylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-[5-(4-methylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-[5-(p-tolyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[4-[5-(4-methylphenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-[5-(p-tolyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoic acid Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H17N5O2/c1-13-2-4-14(5-3-13)19-17(12-23-26-19)18-10-11-22-21(25-18)24-16-8-6-15(7-9-16)20(27)28/h2-12H,1H3,(H,23,26)(H,27,28)(H,22,24,25)