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

Systemtic Name: 2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-methyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]acetamide Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCC2=CC=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCC2=CC=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H25N5OS/c1-15-12-17(24-10-8-23(2)9-11-24)22-19(21-15)26-14-18(25)20-13-16-6-4-3-5-7-16/h3-7,12H,8-11,13-14H2,1-2H3,(H,20,25)/p+1