1-[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(5-methyl-2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(5-methyl-2-thiophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(5-methyl-2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]isonipecotic acid Formula: C16H16F3N3O2S MolecularWeight: 371.37735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(S1)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C16H16F3N3O2S/c1-9-2-3-12(25-9)11-8-13(16(17,18)19)21-15(20-11)22-6-4-10(5-7-22)14(23)24/h2-3,8,10H,4-7H2,1H3,(H,23,24)