1-(4-ethylpiperazin-4-ium-1-yl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-2-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-2-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethanone Formula: C17H20F3N4O2S+ MolecularWeight: 401.42651

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C17H19F3N4O2S/c1-2-23-5-7-24(8-6-23)15(25)11-27-16-21-12(13-4-3-9-26-13)10-14(22-16)17(18,19)20/h3-4,9-10H,2,5-8,11H2,1H3/p+1