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

Systemtic Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-methylpiperazin-1-yl)propan-1-one Openeye Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-(4-methylpiperazino)propan-1-one Formula: C20H23F3N4O2S MolecularWeight: 440.48243

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23F3N4O2S/c1-26-8-10-27(11-9-26)18(28)7-12-30-19-24-16(13-17(25-19)20(21,22)23)14-3-5-15(29-2)6-4-14/h3-6,13H,7-12H2,1-2H3