(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-methyl-2-methylsulfanyl-pyrimidin-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (4-methyl-2-methylsulfanyl-pyrimidin-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: [4-methyl-2-(methylthio)-5-pyrimidinyl]-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-methyl-2-methylsulfanylpyrimidin-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: [4-methyl-2-(methylthio)pyrimidin-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazino]methanone Formula: C18H19F3N4OS MolecularWeight: 396.42987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)SC

Isomeric SMILES

CC1=NC(=NC=C1C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)SC

InChI

InChI=1S/C18H19F3N4OS/c1-12-15(11-22-17(23-12)27-2)16(26)25-8-6-24(7-9-25)14-5-3-4-13(10-14)18(19,20)21/h3-5,10-11H,6-9H2,1-2H3