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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N3CC[NH+](CC3)C)C(C)(C)C

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N3CC[NH+](CC3)C)C(C)(C)C

InChI

InChI=1S/C23H33N5OS/c1-6-24-21(29)18-9-7-8-17(14-18)16-30-22-25-19(23(2,3)4)15-20(26-22)28-12-10-27(5)11-13-28/h7-9,14-15H,6,10-13,16H2,1-5H3,(H,24,29)/p+1