2-[(4,6-dimethoxypyrimidin-2-yl)sulfanylmethyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanylmethyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanylmethyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 2-[[(4,6-dimethoxy-2-pyrimidinyl)thio]methyl]-6-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)sulfanylmethyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 2-[[(4,6-dimethoxypyrimidin-2-yl)thio]methyl]-6-(trifluoromethyl)nicotinic acid Formula: C14H12F3N3O4S MolecularWeight: 375.32299

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SCC2=C(C=CC(=N2)C(F)(F)F)C(=O)O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)SCC2=C(C=CC(=N2)C(F)(F)F)C(=O)O)OC

InChI

InChI=1S/C14H12F3N3O4S/c1-23-10-5-11(24-2)20-13(19-10)25-6-8-7(12(21)22)3-4-9(18-8)14(15,16)17/h3-5H,6H2,1-2H3,(H,21,22)