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

Systemtic Name: N-cyclopropyl-4-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-cyclopropyl-4-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-cyclopropyl-4-[[[4-ethyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-cyclopropyl-4-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-cyclopropyl-4-[[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]benzamide Formula: C22H30N5OS+ MolecularWeight: 412.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3CC3)N4CC[NH+](CC4)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3CC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H29N5OS/c1-3-18-14-20(27-12-10-26(2)11-13-27)25-22(24-18)29-15-16-4-6-17(7-5-16)21(28)23-19-8-9-19/h4-7,14,19H,3,8-13,15H2,1-2H3,(H,23,28)/p+1