1,7-Dimethyluric acid

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Systematic / IUPAC Name: 1,7-Dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione

ID: Reference16

Other Names: 1,7-Dimethyl-2,6,8-trihydroxypurine;
1,7-Dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

Formula: C7H8N4O3

Class: Endogenous Metabolites

Spectral Data

1,7-Dimethyluric acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 284
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 1/15/2015 9:38:03 AM
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Identificators

InChI InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)
InChI Key NOFNCLGCUJJPKU-UHFFFAOYSA-N
Canonical SMILES CN1C2=C(NC1=O)NC(=O)N(C2=O)C
CAS 33868030
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Other Names 1,7-Dimethyl-2,6,8-trihydroxypurine;
1,7-Dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

In Other Databases

ChEBI CHEBI:68449
PubChem 91611
ChEMBL CHEMBL794
ChemIDPlus 033868030
ChemSpider 82720