N-(furan-2-ylmethyl)-2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-furylmethyl)-2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(2-furanylmethyl)-2-[[4-methyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(2-furfuryl)-2-[[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]acetamide Formula: C17H24N5O2S+ MolecularWeight: 362.46976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCC2=CC=CO2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCC2=CC=CO2)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H23N5O2S/c1-13-10-15(22-7-5-21(2)6-8-22)20-17(19-13)25-12-16(23)18-11-14-4-3-9-24-14/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,18,23)/p+1