N-ethyl-3-[[4-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-methyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5OS/c1-5-20-16-21(28-13-11-27(7-3)12-14-28)25-23(24-20)30-17-18-9-8-10-19(15-18)22(29)26(4)6-2/h8-10,15-16H,5-7,11-14,17H2,1-4H3/p+1