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

Systemtic Name: 2-[3-[4-[3-bromanyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[3-[4-[3-bromo-5-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[3-[4-[3-bromo-5-(trifluoromethyl)phenyl]-1-piperazinyl]propylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[3-[4-[3-bromo-5-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[3-[4-[3-bromo-5-(trifluoromethyl)phenyl]piperazino]propylthio]-1H-pyrimidin-6-one Formula: C18H20BrF3N4OS MolecularWeight: 477.34181

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=NC=CC(=O)N2)C3=CC(=CC(=C3)C(F)(F)F)Br

Isomeric SMILES

C1CN(CCN1CCCSC2=NC=CC(=O)N2)C3=CC(=CC(=C3)C(F)(F)F)Br

InChI

InChI=1S/C18H20BrF3N4OS/c19-14-10-13(18(20,21)22)11-15(12-14)26-7-5-25(6-8-26)4-1-9-28-17-23-3-2-16(27)24-17/h2-3,10-12H,1,4-9H2,(H,23,24,27)