Primary Record
Isocaffeine
- In stock
- 3,530 g
- Purity
- 98.2 %
- CAS
- 519-32-4
Compound Identifiers & Properties
- CAS
- 519-32-4
- PubChem CID
- 71302017
- SMILES
- CN1C2=[N+](C=NC2C(=O)N(C1=O)C)C
- Canonical SMILES
- CN1C(=O)C2N=C[N+](C)=C2N(C)C1=O
Names & Synonyms
- Isocaffeine
- 1,3,9-Trimethyl xanthine
- 1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
- 519-32-4