5-dimethylsulfonio-3-[2-(4-fluorophenyl)ethyl]-2,6-bis(oxidanylidene)-1,3-diazinan-4-olate

Systemtic Name: 5-dimethylsulfonio-3-[2-(4-fluorophenyl)ethyl]-2,6-bis(oxidanylidene)-1,3-diazinan-4-olate Openeye Name: 5-dimethylsulfonio-3-[2-(4-fluorophenyl)ethyl]-2,6-dioxo-hexahydropyrimidin-4-olate CAS Name: 5-dimethylsulfonio-3-[2-(4-fluorophenyl)ethyl]-2,6-dioxo-1,3-diazinan-4-olate IUPAC Name: 5-dimethylsulfonio-3-[2-(4-fluorophenyl)ethyl]-2,6-dioxo-1,3-diazinan-4-olate Traditional Name: 5-dimethylsulfonio-3-[2-(4-fluorophenyl)ethyl]-2,6-diketo-hexahydropyrimidin-4-olate Formula: C14H17FN2O3S MolecularWeight: 312.359783

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)C1C(N(C(=O)NC1=O)CCC2=CC=C(C=C2)F)[O-]

Isomeric SMILES

C[S+](C)C1C(N(C(=O)NC1=O)CCC2=CC=C(C=C2)F)[O-]

InChI

InChI=1S/C14H17FN2O3S/c1-21(2)11-12(18)16-14(20)17(13(11)19)8-7-9-3-5-10(15)6-4-9/h3-6,11,13H,7-8H2,1-2H3,(H,16,18,20)