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

Systemtic Name: N-(cyclopropylmethyl)-4-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(cyclopropylmethyl)-4-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(cyclopropylmethyl)-4-[[[4-ethyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(cyclopropylmethyl)-4-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(cyclopropylmethyl)-4-[[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]benzamide Formula: C23H32N5OS+ MolecularWeight: 426.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3CC3)N4CC[NH+](CC4)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3CC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H31N5OS/c1-3-20-14-21(28-12-10-27(2)11-13-28)26-23(25-20)30-16-18-6-8-19(9-7-18)22(29)24-15-17-4-5-17/h6-9,14,17H,3-5,10-13,15-16H2,1-2H3,(H,24,29)/p+1