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

Systemtic Name: 2-[4-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-chloro-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-chloro-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]acetate Formula: C11H15ClN4O2S MolecularWeight: 302.7804

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)[O-])Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)[O-])Cl

InChI

InChI=1S/C11H15ClN4O2S/c1-15-2-4-16(5-3-15)9-6-8(12)13-11(14-9)19-7-10(17)18/h6H,2-5,7H2,1H3,(H,17,18)