N-(4-methoxyphenyl)-7H-purin-6-amine

N-(4-methoxyphenyl)-7H-purin-6-amine bmse011059 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C12H11N5O

Natural Isotopic Abundance Mass: 241.24863999999988

Mono-Isotopic Molecular Masses:

  • C12N14: 241.096359997
  • C13N14: 253.13661805300006
  • C12N15: 246.08153446200004
  • C13N15: 258.1217925180002

InChI string: InChI=1S/C12H11N5O/c1-18-9-4-2-8(3-5-9)17-12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H2,13,14,15,16,17)

Reference 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)