3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C21H20F3N5O2S MolecularWeight: 463.47601

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CCSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CCSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4

InChI

InChI=1S/C21H20F3N5O2S/c22-21(23,24)17-14-15(16-4-3-12-31-16)26-20(27-17)32-13-6-19(30)29-10-8-28(9-11-29)18-5-1-2-7-25-18/h1-5,7,12,14H,6,8-11,13H2