2-methylsulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-N-[1-(phenylmethyl)-4-piperidinyl]-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-(methylthio)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C19H21F3N4OS MolecularWeight: 410.45645

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(F)(F)F)C(=O)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC=C(C(=N1)C(F)(F)F)C(=O)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H21F3N4OS/c1-28-18-23-11-15(16(25-18)19(20,21)22)17(27)24-14-7-9-26(10-8-14)12-13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,24,27)