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

Systemtic Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2-methylpiperidin-1-yl)propan-1-one Openeye Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2-methyl-1-piperidyl)propan-1-one CAS Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-(2-methyl-1-piperidinyl)-1-propanone IUPAC Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2-methylpiperidin-1-yl)propan-1-one Traditional Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-(2-methylpiperidino)propan-1-one Formula: C21H24F3N3O2S MolecularWeight: 439.49437

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1CCCCN1C(=O)CCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24F3N3O2S/c1-14-5-3-4-11-27(14)19(28)10-12-30-20-25-17(13-18(26-20)21(22,23)24)15-6-8-16(29-2)9-7-15/h6-9,13-14H,3-5,10-12H2,1-2H3