Bookmark and Share
Please login to be able to add spectra, identifiers, links and publications.
  • Comments
  • Image
  • Spectrum
  • CIF
  • Identifier
  • Description
  • Add:
Inherent Properties, Identifiers and References
ChemSpider ID: 344676
Empirical Formula: C14H11BrN6O
Molecular Weight: 359.1807
Nominal Mass: 358 Da
Average Mass: 359.1807 Da
Monoisotopic Mass: 358.017764 Da
Systematic Name: 8-(4-bromophenyl)-2-ethyl-2,8-dihydro-4H-pyrazolo[3,4-d][1,2,4]tr​iazolo[1,5-a]pyrimidin-4-one
SMILES: Brc1ccc(cc1)N4\C=N/N3\C4=N/c2nn(CC)cc2C3=O Copy
InChI: InChI=1/C14H11BrN6O/c1-2-19-7-11-12(18-19)17-14-20(8-16-21(14)13(​11)22)10-5-3-9(15)4-6-10/h3-8H,2H2,1H3 Copy
InChIKey: LCWLYTDECDZELT-UHFFFAOYAP
Std. InChI: InChI=1S/C14H11BrN6O/c1-2-19-7-11-12(18-19)17-14-20(8-16-21(14)13​(11)22)10-5-3-9(15)4-6-10/h3-8H,2H2,1H3 Copy
Std. InChIKey: LCWLYTDECDZELT-UHFFFAOYSA-N
FilterAssociated Data Sources and Commercial Suppliers
Articles
Identifiers
Predicted Properties