N-(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)-3-oxidanylidene-4H-1,2,3-benzoxathiazin-3-ium-6-amine

Systemtic Name: N-(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)-3-oxidanylidene-4H-1,2,3-benzoxathiazin-3-ium-6-amine Openeye Name: N-(2-chloro-5-fluoro-pyrimidin-4-yl)-3-oxo-4H-1,2,3-benzoxathiazin-3-ium-6-amine CAS Name: N-(2-chloro-5-fluoro-4-pyrimidinyl)-3-oxo-4H-1,2,3-benzoxathiazin-3-ium-6-amine IUPAC Name: N-(2-chloro-5-fluoropyrimidin-4-yl)-3-oxo-4H-1,2,3-benzoxathiazin-3-ium-6-amine Traditional Name: (2-chloro-5-fluoro-pyrimidin-4-yl)-(3-keto-4H-1,2,3-benzoxathiazin-3-ium-6-yl)amine Formula: C11H7ClFN4O2S+ MolecularWeight: 313.715283

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NC3=NC(=NC=C3F)Cl)OS[N+]1=O

Isomeric SMILES

C1C2=C(C=CC(=C2)NC3=NC(=NC=C3F)Cl)OS[N+]1=O

InChI

InChI=1S/C11H7ClFN4O2S/c12-11-14-4-8(13)10(16-11)15-7-1-2-9-6(3-7)5-17(18)20-19-9/h1-4H,5H2,(H,14,15,16)/q+1