2-[4-[bis(fluoranyl)methyl]-6-(3-methoxyphenyl)pyrimidin-2-yl]sulfanylethylazanium

Systemtic Name: 2-[4-[bis(fluoranyl)methyl]-6-(3-methoxyphenyl)pyrimidin-2-yl]sulfanylethylazanium Openeye Name: 2-[4-(difluoromethyl)-6-(3-methoxyphenyl)pyrimidin-2-yl]sulfanylethylammonium CAS Name: 2-[[4-(difluoromethyl)-6-(3-methoxyphenyl)-2-pyrimidinyl]thio]ethylammonium IUPAC Name: 2-[4-(difluoromethyl)-6-(3-methoxyphenyl)pyrimidin-2-yl]sulfanylethylazanium Traditional Name: 2-[[4-(difluoromethyl)-6-(3-methoxyphenyl)pyrimidin-2-yl]thio]ethylammonium Formula: C14H16F2N3OS+ MolecularWeight: 312.358146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)SCC[NH3+])C(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)SCC[NH3+])C(F)F

InChI

InChI=1S/C14H15F2N3OS/c1-20-10-4-2-3-9(7-10)11-8-12(13(15)16)19-14(18-11)21-6-5-17/h2-4,7-8,13H,5-6,17H2,1H3/p+1