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

Systemtic Name: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)ethanamide Openeye Name: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(4-methyl-1-piperazin-4-iumyl)acetamide IUPAC Name: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)acetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-(4-methylpiperazin-4-ium-1-yl)acetamide Formula: C19H23F3N5O2S+ MolecularWeight: 442.47843

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H22F3N5O2S/c1-26-7-9-27(10-8-26)25-17(28)12-30-18-23-15(11-16(24-18)19(20,21)22)13-3-5-14(29-2)6-4-13/h3-6,11H,7-10,12H2,1-2H3,(H,25,28)/p+1