N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-[4-(difluoromethylthio)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C17H19F2N5OS MolecularWeight: 379.427466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)SC(F)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)SC(F)F)C3=NC=CC=N3

InChI

InChI=1S/C17H19F2N5OS/c18-16(19)26-14-4-2-13(3-5-14)22-15(25)12-23-8-10-24(11-9-23)17-20-6-1-7-21-17/h1-7,16H,8-12H2,(H,22,25)