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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5OS/c1-5-20-15-21(28-13-11-27(6-2)12-14-28)26-23(25-20)30-16-18-7-9-19(10-8-18)22(29)24-17(3)4/h7-10,15,17H,5-6,11-14,16H2,1-4H3,(H,24,29)/p+1