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

Systemtic Name: [4-[bis(fluoranyl)methylsulfanyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(difluoromethylsulfanyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-(difluoromethylthio)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(difluoromethylsulfanyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(difluoromethylthio)phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C16H16F2N4OS MolecularWeight: 350.386246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)SC(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C16H16F2N4OS/c17-15(18)24-13-4-2-12(3-5-13)14(23)21-8-10-22(11-9-21)16-19-6-1-7-20-16/h1-7,15H,8-11H2