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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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