Want to comment
on this record?

3,7-Bis[(¹³C)methyl]-3,7-dihydro-1H-purine-2,6-dione

ChemSpider ID: 8165457
Molecular Formula: C₅¹³C₂H₈N₄O₂
Average mass: 182.149307 Da
Monoisotopic mass: 182.071442 Da
Systematic name

3,7-Bis[(¹³C)methyl]-3,7-dihydro-1H-purine-2,6-dione
SMILES and InChIs

SMILES:

Cn1cnc2c1c(=O)[nH]c(=O)n2C Copied

Std. InChI:

InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/i1+1,2+1 Copied

Std. InChIKey:

YAPQBXQYLJRXSA-ZDOIIHCHSA-N Copied
Cite this record
CSID:8165457, http://www.chemspider.com/Chemical-Structure.8165457.html (accessed 08:42, Jun 20, 2013) Copied

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library