1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium

ChemSpider ID: 24737566
Molecular Formula: C₈H₁₁N₄O₂
Average mass: 195.197998 Da
Monoisotopic mass: 195.087646 Da
Systematic name

1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium
SMILES and InChIs

SMILES:

Cn1c[nH+]c2c1c(=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/p+1 Copied

Std. InChIKey:

RYYVLZVUVIJVGH-UHFFFAOYSA-O Copied
Cite this record
CSID:24737566, http://www.chemspider.com/Chemical-Structure.24737566.html (accessed 19:31, May 23, 2013) Copied

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

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