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

Systemtic Name: 6-(pyrimidin-2-ylsulfanylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 6-(pyrimidin-2-ylsulfanylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-4-one CAS Name: 6-[(2-pyrimidinylthio)methyl]-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-(pyrimidin-2-ylsulfanylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-4-one Traditional Name: 6-[(2-pyrimidylthio)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazino]-1H-pyrimidin-4-one Formula: C20H19F3N6OS MolecularWeight: 448.46467

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC(=O)C=C(N3)CSC4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC(=O)C=C(N3)CSC4=NC=CC=N4

InChI

InChI=1S/C20H19F3N6OS/c21-20(22,23)14-3-1-4-16(11-14)28-7-9-29(10-8-28)18-26-15(12-17(30)27-18)13-31-19-24-5-2-6-25-19/h1-6,11-12H,7-10,13H2,(H,26,27,30)