1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-diazepan-4-ium

Systemtic Name: 1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-diazepan-4-ium Openeye Name: 1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-diazepan-4-ium CAS Name: 1-[2-(methylthio)-6-(trifluoromethyl)-4-pyrimidinyl]-1,4-diazepan-4-ium IUPAC Name: 1-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-diazepan-4-ium Traditional Name: 1-[2-(methylthio)-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-diazepan-4-ium Formula: C11H16F3N4S+ MolecularWeight: 293.33175

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)N2CCC[NH2+]CC2)C(F)(F)F

Isomeric SMILES

CSC1=NC(=CC(=N1)N2CCC[NH2+]CC2)C(F)(F)F

InChI

InChI=1S/C11H15F3N4S/c1-19-10-16-8(11(12,13)14)7-9(17-10)18-5-2-3-15-4-6-18/h7,15H,2-6H2,1H3/p+1