2-[4-chloranyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-chloro-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-chloro-6-(4-ethyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-chloro-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[4-chloro-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]ethanone Formula: C18H28ClN6O2S+ MolecularWeight: 427.97192

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C(=O)C)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C(=O)C)Cl

InChI

InChI=1S/C18H27ClN6O2S/c1-3-22-4-6-24(7-5-22)16-12-15(19)20-18(21-16)28-13-17(27)25-10-8-23(9-11-25)14(2)26/h12H,3-11,13H2,1-2H3/p+1