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

Systemtic Name: 5-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 5-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one CAS Name: 5-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propylthio]-1H-pyrimidin-6-one IUPAC Name: 5-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 5-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazino]propylthio]-1H-pyrimidin-6-one Formula: C19H23F3N4OS MolecularWeight: 412.47233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(NC1=O)SCCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CN=C(NC1=O)SCCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H23F3N4OS/c1-14-13-23-18(24-17(14)27)28-11-3-6-25-7-9-26(10-8-25)16-5-2-4-15(12-16)19(20,21)22/h2,4-5,12-13H,3,6-11H2,1H3,(H,23,24,27)