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

Systemtic Name: 3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-(4-phenylpiperazino)propan-1-one Formula: C22H21F3N4O2S MolecularWeight: 462.48795

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4

InChI

InChI=1S/C22H21F3N4O2S/c23-22(24,25)19-15-17(18-7-4-13-31-18)26-21(27-19)32-14-8-20(30)29-11-9-28(10-12-29)16-5-2-1-3-6-16/h1-7,13,15H,8-12,14H2