2-[4-[bis(fluoranyl)methyl]-6-(furan-2-yl)pyrimidin-2-yl]sulfanylethylazanium

Systemtic Name: 2-[4-[bis(fluoranyl)methyl]-6-(furan-2-yl)pyrimidin-2-yl]sulfanylethylazanium Openeye Name: 2-[4-(difluoromethyl)-6-(2-furyl)pyrimidin-2-yl]sulfanylethylammonium CAS Name: 2-[[4-(difluoromethyl)-6-(2-furanyl)-2-pyrimidinyl]thio]ethylammonium IUPAC Name: 2-[4-(difluoromethyl)-6-(furan-2-yl)pyrimidin-2-yl]sulfanylethylazanium Traditional Name: 2-[[4-(difluoromethyl)-6-(2-furyl)pyrimidin-2-yl]thio]ethylammonium Formula: C11H12F2N3OS+ MolecularWeight: 272.294286

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=CC(=NC(=N2)SCC[NH3+])C(F)F

Isomeric SMILES

C1=COC(=C1)C2=CC(=NC(=N2)SCC[NH3+])C(F)F

InChI

InChI=1S/C11H11F2N3OS/c12-10(13)8-6-7(9-2-1-4-17-9)15-11(16-8)18-5-3-14/h1-2,4,6,10H,3,5,14H2/p+1