1-[4-(phenylmethyl)piperazin-1-yl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propan-1-one Formula: C25H25F3N4OS MolecularWeight: 486.55241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C25H25F3N4OS/c1-18(23(33)32-14-12-31(13-15-32)17-19-8-4-2-5-9-19)34-24-29-21(20-10-6-3-7-11-20)16-22(30-24)25(26,27)28/h2-11,16,18H,12-15,17H2,1H3