2-[4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethylazanium

Systemtic Name: 2-[4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethylazanium Openeye Name: 2-[4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethylammonium CAS Name: 2-[4-[2-(methylthio)-6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl]ethylammonium IUPAC Name: 2-[4-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethylazanium Traditional Name: 2-[4-[2-(methylthio)-6-(trifluoromethyl)pyrimidin-4-yl]piperazino]ethylammonium Formula: C12H19F3N5S+ MolecularWeight: 322.37297

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)N2CCN(CC2)CC[NH3+])C(F)(F)F

Isomeric SMILES

CSC1=NC(=CC(=N1)N2CCN(CC2)CC[NH3+])C(F)(F)F

InChI

InChI=1S/C12H18F3N5S/c1-21-11-17-9(12(13,14)15)8-10(18-11)20-6-4-19(3-2-16)5-7-20/h8H,2-7,16H2,1H3/p+1