1-(4,6-dimethylpyrimidin-2-yl)-5-thiophen-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-thiophen-2-yl-pyrazole-3-carboxylic acid Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(2-thienyl)pyrazole-3-carboxylic acid CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-5-thiophen-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-thiophen-2-ylpyrazole-3-carboxylic acid Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(2-thienyl)pyrazole-3-carboxylic acid Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C(=O)O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C(=O)O)C3=CC=CS3)C

InChI

InChI=1S/C14H12N4O2S/c1-8-6-9(2)16-14(15-8)18-11(12-4-3-5-21-12)7-10(17-18)13(19)20/h3-7H,1-2H3,(H,19,20)