2-[2-methylsulfanyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]ethanol

Systemtic Name: 2-[2-methylsulfanyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]ethanol Openeye Name: 2-[2-methylsulfanyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]ethanol CAS Name: 2-[2-(methylthio)-6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-4-pyrimidinyl]ethanol IUPAC Name: 2-[2-methylsulfanyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]ethanol Traditional Name: 2-[2-(methylthio)-6-[4-[3-(trifluoromethyl)phenyl]piperazino]pyrimidin-4-yl]ethanol Formula: C18H21F3N4OS MolecularWeight: 398.44575

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)CCO

Isomeric SMILES

CSC1=NC(=CC(=N1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)CCO

InChI

InChI=1S/C18H21F3N4OS/c1-27-17-22-14(5-10-26)12-16(23-17)25-8-6-24(7-9-25)15-4-2-3-13(11-15)18(19,20)21/h2-4,11-12,26H,5-10H2,1H3