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

Systemtic Name: N-ethyl-4-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-ethyl-4-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-ethyl-4-[[[4-ethyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-ethyl-4-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-ethyl-4-[[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]benzamide Formula: C21H30N5OS+ MolecularWeight: 400.5608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5OS/c1-4-18-14-19(26-12-10-25(3)11-13-26)24-21(23-18)28-15-16-6-8-17(9-7-16)20(27)22-5-2/h6-9,14H,4-5,10-13,15H2,1-3H3,(H,22,27)/p+1