3-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide

Systemtic Name: 3-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 3-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 3-[[[4-ethyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 3-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 3-[[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]-N-isobutyl-benzamide Formula: C23H34N5OS+ MolecularWeight: 428.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC(C)C)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC(C)C)N3CC[NH+](CC3)C

InChI

InChI=1S/C23H33N5OS/c1-5-20-14-21(28-11-9-27(4)10-12-28)26-23(25-20)30-16-18-7-6-8-19(13-18)22(29)24-15-17(2)3/h6-8,13-14,17H,5,9-12,15-16H2,1-4H3,(H,24,29)/p+1