Molecular properties
- Formula
- C7H8N4O2
- Molar mass
- 180.17 g·mol−1
- Exact mass
- 180.0647 Da
- 6
- PubChem CID
- 350737
Molecule record
3-ethyl-7H-purine-2,6-dione
C7H8N4O2
180.17 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
- 3-Ethyl-1H-purine-2,6(3H,7H)-dione
- 3-Ethyl-3,7-dihydro-1H-purine-2,6-dione
- 3-Ethyl-3,7-dihydro-purine-2,6-dione
- 3-ethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
- 3-ethylxanthin
- 3-ethylxanthine
- 41078-01-7
- 852-285-3
Show all 23 synonyms
- AKOS023092889
- BDBM50001502
- CHEMBL131181
- DTXSID80325667
- EBC-14555
- EN300-724815
- F572137
- G55024
- NSC-515505
- NSC515505
- OTUCSVCIIQRSNG-UHFFFAOYSA-N
- RBA07801
- RefChem:501297
- SCHEMBL7466316
- Z1238571221
Structure identifiers
- Canonical SMILES
- CCn1c(=O)[nH]c(=O)c2[nH]cnc21
- Isomeric SMILES
- CCN1C2=C(C(=O)NC1=O)NC=N2
- InChI
- InChI=1S/C7H8N4O2/c1-2-11-5-4(8-3-9-5)6(12)10-7(11)13/h3H,2H2,1H3,(H,8,9)(H,10,12,13)
- InChIKey
- OTUCSVCIIQRSNG-UHFFFAOYSA-N
- PubChem CID
- 350737
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-ethyl-7H-purine-2,6-dione; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-ethyl-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.