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

Systemtic Name: 4-oxidanyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propylthio]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazino]propylthio]-1H-pyrimidin-6-one Formula: C18H21F3N4O2S MolecularWeight: 414.44515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21F3N4O2S/c19-18(20,21)13-3-1-4-14(11-13)25-8-6-24(7-9-25)5-2-10-28-17-22-15(26)12-16(27)23-17/h1,3-4,11-12H,2,5-10H2,(H2,22,23,26,27)