[2-[bis(fluoranyl)methylsulfanyl]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-[bis(fluoranyl)methylsulfanyl]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(difluoromethylsulfanyl)-3-pyridyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(difluoromethylthio)-3-pyridinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(difluoromethylsulfanyl)pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(difluoromethylthio)-3-pyridyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C15H15F2N5OS MolecularWeight: 351.374306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15F2N5OS/c16-14(17)24-12-11(3-1-4-18-12)13(23)21-7-9-22(10-8-21)15-19-5-2-6-20-15/h1-6,14H,7-10H2