S-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl] 2,2,2-tris(fluoranyl)ethanethioate

Systemtic Name: S-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl] 2,2,2-tris(fluoranyl)ethanethioate Openeye Name: S-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl] 2,2,2-trifluoroethanethioate CAS Name: 2,2,2-trifluoroethanethioic acid S-[4-methyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl] ester IUPAC Name: S-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl] 2,2,2-trifluoroethanethioate Traditional Name: 2,2,2-trifluoroethanethioic acid S-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl] ester Formula: C12H16F3N4OS+ MolecularWeight: 321.34185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)C(F)(F)F)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)C(F)(F)F)N2CC[NH+](CC2)C

InChI

InChI=1S/C12H15F3N4OS/c1-8-7-9(19-5-3-18(2)4-6-19)17-11(16-8)21-10(20)12(13,14)15/h7H,3-6H2,1-2H3/p+1