3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C17H20F3N4O2S+ MolecularWeight: 401.42651

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C17H19F3N4O2S/c1-23-5-7-24(8-6-23)15(25)4-10-27-16-21-12(13-3-2-9-26-13)11-14(22-16)17(18,19)20/h2-3,9,11H,4-8,10H2,1H3/p+1