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

Systemtic Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-piperidin-1-yl-propan-1-one Openeye Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(1-piperidyl)propan-1-one CAS Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-(1-piperidinyl)-1-propanone IUPAC Name: 3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-piperidin-1-ylpropan-1-one Traditional Name: 3-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-piperidino-propan-1-one Formula: C20H22F3N3O2S MolecularWeight: 425.46779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)N3CCCCC3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCCC(=O)N3CCCCC3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O2S/c1-28-15-7-5-14(6-8-15)16-13-17(20(21,22)23)25-19(24-16)29-12-9-18(27)26-10-3-2-4-11-26/h5-8,13H,2-4,9-12H2,1H3