Molecular Formula: C8H9N3O3S
Natural Isotopic Abundance Mass: 227.24036
Mono-Isotopic Molecular Masses:
InChI string: InChI=1S/C8H9N3O3S/c1-9-15(13,14)5-2-3-6-7(4-5)11-8(12)10-6/h2-4,9H,1H3,(H2,10,11,12)
EU-OPENSCREEN: EOS102698Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)