6-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]-1H-pyrimidine-2-thione

Systemtic Name: 6-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]-1H-pyrimidine-2-thione Openeye Name: 6-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]-1H-pyrimidine-2-thione CAS Name: 6-[3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propoxy]-1H-pyrimidine-2-thione IUPAC Name: 6-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]-1H-pyrimidine-2-thione Traditional Name: 6-[3-[4-[3-(trifluoromethyl)phenyl]piperazino]propoxy]-1H-pyrimidine-2-thione Formula: C18H21F3N4OS MolecularWeight: 398.44575

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=NC(=S)N2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=NC(=S)N2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H21F3N4OS/c19-18(20,21)14-3-1-4-15(13-14)25-10-8-24(9-11-25)7-2-12-26-16-5-6-22-17(27)23-16/h1,3-6,13H,2,7-12H2,(H,22,23,27)