Molecular properties
- Formula
- C6H6N4O3
- Molar mass
- 182.14 g·mol−1
- Exact mass
- 182.0440 Da
- 6
- PubChem CID
- 193123
Molecule record
3-methoxy-7H-purine-2,6-dione
C6H6N4O3
182.14 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1H-Purine-2,6-dione, 3,7-dihydro-3-methoxy-
- 3-Methoxyxanthine
- 3-methoxy-3,7-dihydro-1h-purine-2,6-dione
- 30345-91-6
- DTXCID30106923
- DTXSID20184432
- RefChem:94674
Structure identifiers
- Canonical SMILES
- COn1c(=O)[nH]c(=O)c2[nH]cnc21
- Isomeric SMILES
- CON1C2=C(C(=O)NC1=O)NC=N2
- InChI
- InChI=1S/C6H6N4O3/c1-13-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
- InChIKey
- MTDDRMZQPQLXPK-UHFFFAOYSA-N
- PubChem CID
- 193123
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 3-methoxy-7H-purine-2,6-dione; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-methoxy-7H-purine-2,6-dione; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.