2-[[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]benzoic acid Openeye Name: 2-[[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]benzoic acid CAS Name: 2-[[[4-cyano-2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-3-pyrazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamoyl]benzoic acid Traditional Name: 2-[[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]carbamoyl]benzoic acid Formula: C19H16N6O3 MolecularWeight: 376.36874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)C#N)NC(=O)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)C#N)NC(=O)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C19H16N6O3/c1-10-8-11(2)22-19(21-10)25-16(15(9-20)12(3)24-25)23-17(26)13-6-4-5-7-14(13)18(27)28/h4-8H,1-3H3,(H,23,26)(H,27,28)