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

Systemtic Name: 2-[[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl]benzoic acid Openeye Name: 2-[[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl]benzoic acid CAS Name: 2-[[[4-cyano-2-(4,6-dimethyl-2-pyrimidinyl)-3-pyrazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl]benzoic acid Traditional Name: 2-[[4-cyano-2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl]benzoic acid Formula: C18H14N6O3 MolecularWeight: 362.34216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N6O3/c1-10-7-11(2)22-18(21-10)24-15(12(8-19)9-20-24)23-16(25)13-5-3-4-6-14(13)17(26)27/h3-7,9H,1-2H3,(H,23,25)(H,26,27)