2-[3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[3-[3-[3-(trifluoromethyl)phenyl]-1-piperidyl]propylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[3-[3-[3-(trifluoromethyl)phenyl]-1-piperidinyl]propylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[3-[3-[3-(trifluoromethyl)phenyl]piperidino]propylthio]-1H-pyrimidin-6-one Formula: C19H22F3N3OS MolecularWeight: 397.45769

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCCSC2=NC=CC(=O)N2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CC(CN(C1)CCCSC2=NC=CC(=O)N2)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H22F3N3OS/c20-19(21,22)16-6-1-4-14(12-16)15-5-2-9-25(13-15)10-3-11-27-18-23-8-7-17(26)24-18/h1,4,6-8,12,15H,2-3,5,9-11,13H2,(H,23,24,26)