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

ChemSpider ID: 8416922
Molecular Formula: C₅¹³C₂H₈N₄O₂
Average mass: 182.149002 Da
Monoisotopic mass: 182.070999 Da
Systematic name

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

SMILES:

Cn1c2c(c(=O)n(c1=O)C)[nH]cn2 Copied

Std. InChI:

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

Std. InChIKey:

ZFXYFBGIUFBOJW-ZDOIIHCHSA-N Copied
Cite this record
CSID:8416922, http://www.chemspider.com/Chemical-Structure.8416922.html (accessed 04:23, May 26, 2012) 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

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