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

Systemtic Name: 2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-methyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]-N-phenethyl-acetamide Formula: C20H28N5OS+ MolecularWeight: 386.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCCC2=CC=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCCC2=CC=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H27N5OS/c1-16-14-18(25-12-10-24(2)11-13-25)23-20(22-16)27-15-19(26)21-9-8-17-6-4-3-5-7-17/h3-7,14H,8-13,15H2,1-2H3,(H,21,26)/p+1