Molecular properties
- Formula
- C5H4N4O3
- Molar mass
- 168.11 g·mol−1
- Exact mass
- 168.0283 Da
- 6
- PubChem CID
- 1175
Molecule record
7,9-dihydro-3H-purine-2,6,8-trione
C5H4N4O3
168.11 g/mol
Loading structure
Functional groups
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-
- 1H-Purine-2,6,8-triol
- 2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione
- 2,6,8-Trioxopurine
- 2,6,8-trihydroxypurine
- 2,6,8-trioxypurine
- 268B43MJ25
- 69-93-2
Show all 24 synonyms
- 7,9-Dihydro-1H-purine-2,6,8(3H)-trione
- CHEBI:17775
- CHEBI:46823
- DTXCID1022508
- DTXSID3042508
- DTXSID80953166
- Idelalisib metabolite m54
- Lithic acid
- NSC-3975
- Purine-2,6,8(1H,3H,9H)-trione
- Urate, Potassium
- Urate, Sodium
- Uricum acidum
- trioxopurine
- urate
- uric acid
Structure identifiers
- Canonical SMILES
- O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1
- Isomeric SMILES
- C12=C(NC(=O)N1)NC(=O)NC2=O
- InChI
- InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
- InChIKey
- LEHOTFFKMJEONL-UHFFFAOYSA-N
- PubChem CID
- 1175
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 7,9-dihydro-3H-purine-2,6,8-trione; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 7,9-dihydro-3H-purine-2,6,8-trione; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.