BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

Pyridin-3-ylmethylurea

Pyridin-3-ylmethylurea bmse012339 - Data

Pyridin-3-ylmethylurea synonyms

Wikipedia:

Graphical representations:

pyridin-3-ylmethylurea

View large 3D structure

Molecular Formula: C7H9N3O

Natural Isotopic Abundance Mass: 151.16585999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 151.074561923
  • C13N14: 158.09804578900003
  • C12N15: 154.06566660200002
  • C13N15: 161.08915046800004

InChI string: InChI=1S/C7H9N3O/c8-7(11)10-5-6-2-1-3-9-4-6/h1-4H,5H2,(H3,8,10,11)

EU-OPENSCREEN: EOS103085

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)