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

Systemtic Name: 2-[3-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[3-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[3-[4-[4-methyl-3-(trifluoromethyl)phenyl]-1-piperazinyl]propylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[3-[4-[4-methyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[3-[4-[4-methyl-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=C(C=C(C=C1)N2CCN(CC2)CCCSC3=NC=CC(=O)N3)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)CCCSC3=NC=CC(=O)N3)C(F)(F)F

InChI

InChI=1S/C19H23F3N4OS/c1-14-3-4-15(13-16(14)19(20,21)22)26-10-8-25(9-11-26)7-2-12-28-18-23-6-5-17(27)24-18/h3-6,13H,2,7-12H2,1H3,(H,23,24,27)