2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)ethanamide

Systemtic Name: 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)ethanamide Openeye Name: 2-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)acetamide CAS Name: 2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(4-methyl-1-piperazin-4-iumyl)acetamide IUPAC Name: 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)acetamide Traditional Name: 2-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-(4-methylpiperazin-4-ium-1-yl)acetamide Formula: C16H19F3N5O2S+ MolecularWeight: 402.41457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F3N5O2S/c1-23-4-6-24(7-5-23)22-14(25)10-27-15-20-11(12-3-2-8-26-12)9-13(21-15)16(17,18)19/h2-3,8-9H,4-7,10H2,1H3,(H,22,25)/p+1