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3,7-Dimethyl-1-(¹⁴C)methyl-3,7-dihydro-1H-purine-2,6-dione

ChemSpider ID: 57712
Molecular Formula: C₇¹⁴CH₁₀N₄O₂
Average mass: 196.183105 Da
Monoisotopic mass: 196.083618 Da
Systematic name

3,7-Dimethyl-1-(¹⁴C)methyl-3,7-dihydro-1H-purine-2,6-dione
SMILES and InChIs

SMILES:

Cn1cnc2c1c(=O)n(c(=O)n2C)C Copied

Std. InChI:

InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i3+2 Copied

Std. InChIKey:

RYYVLZVUVIJVGH-YZRHJBSPSA-N Copied
Cite this record
CSID:57712, http://www.chemspider.com/Chemical-Structure.57712.html (accessed 19:28, May 21, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(14-C)Caffeine

1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(methyl-14C)-

77196-81-7 [RN]

CAFFEINE, [1-METHYL-14C]

Caffeine-1-methyl-14C

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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