1-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: 1-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: 1-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]isonipecotate Formula: C15H13F3N3O2S- MolecularWeight: 356.34283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C15H14F3N3O2S/c16-15(17,18)12-8-10(11-2-1-7-24-11)19-14(20-12)21-5-3-9(4-6-21)13(22)23/h1-2,7-9H,3-6H2,(H,22,23)/p-1