2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-methyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]acetate Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)[O-])N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)[O-])N2CC[NH+](CC2)C

InChI

InChI=1S/C12H18N4O2S/c1-9-7-10(16-5-3-15(2)4-6-16)14-12(13-9)19-8-11(17)18/h7H,3-6,8H2,1-2H3,(H,17,18)