1-phenyl-3-pyridin-3-ylurea

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C12H11N3O

Natural Isotopic Abundance Mass: 213.2352399999999

Mono-Isotopic Molecular Masses:

  • C12N14: 213.090211987
  • C13N14: 225.13047004300006
  • C12N15: 216.08131666600002
  • C13N15: 228.12157472200008

InChI string: InChI=1S/C12H11N3O/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)

wwPDB CCD: K0G

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)