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

Systemtic Name: N-ethyl-4-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-methyl-benzamide Openeye Name: N-ethyl-4-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-methyl-benzamide CAS Name: N-ethyl-4-[[[4-ethyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]methyl]-N-methylbenzamide IUPAC Name: N-ethyl-4-[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-methylbenzamide Traditional Name: N-ethyl-4-[[[4-ethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]methyl]-N-methyl-benzamide Formula: C22H32N5OS+ MolecularWeight: 414.58738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5OS/c1-5-19-15-20(27-13-11-25(3)12-14-27)24-22(23-19)29-16-17-7-9-18(10-8-17)21(28)26(4)6-2/h7-10,15H,5-6,11-14,16H2,1-4H3/p+1