2-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[3-[4-[3-(trifluoromethyl)phenyl]-1-piperidyl]propylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[3-[4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]propylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[3-[4-[3-(trifluoromethyl)phenyl]piperidino]propylthio]-1H-pyrimidin-6-one Formula: C19H22F3N3OS MolecularWeight: 397.45769

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=CC=C2)C(F)(F)F)CCCSC3=NC=CC(=O)N3

Isomeric SMILES

C1CN(CCC1C2=CC(=CC=C2)C(F)(F)F)CCCSC3=NC=CC(=O)N3

InChI

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