2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-(4-methylpiperazino)ethanone Formula: C19H21F3N4O2S MolecularWeight: 426.45585

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H21F3N4O2S/c1-25-7-9-26(10-8-25)17(27)12-29-18-23-15(11-16(24-18)19(20,21)22)13-3-5-14(28-2)6-4-13/h3-6,11H,7-10,12H2,1-2H3