BMRB

Biological Magnetic Resonance Data Bank


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

5-chloro-2-methylsulfanylpyrimidine-4-carboxamide

5-chloro-2-methylsulfanylpyrimidine-4-carboxamide bmse012241 - Data

5-chloro-2-methylsulfanylpyrimidine-4-carboxamide synonyms

Wikipedia:

Graphical representations:

5-chloro-2-methylsulfanylpyrimidine-4-carboxamide

View large 3D structure

Molecular Formula: C6H6ClN3OS

Natural Isotopic Abundance Mass: 203.64934

Mono-Isotopic Molecular Masses:

  • C12N14: 202.992010507
  • C13N14: 209.01213953500002
  • C12N15: 205.98311518600002
  • C13N15: 212.00324421400003

InChI string: InChI=1S/C6H6ClN3OS/c1-12-6-9-2-3(7)4(10-6)5(8)11/h2H,1H3,(H2,8,11)

IUPAC: b'5-chloro-2-methylsulfanylpyrimidine-4-carboxamide'

EU-OPENSCREEN: EOS102980

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)