1H-Purine-2,6-dione, 3,9-dihydro-1-(2-propen-1-yl)-
Basic information
- CAS
146830-80-0- Standard SMILES
C=CCn1c(=O)[nH]c2nc[nH]c2c1=O- InChIKey
IPKIKTHDWDXHPU-UHFFFAOYSA-N- Molecular formula
- C8H8N4O2
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.06472551
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,9-dihydro-1-(2-propen-1-yl)-
- IUPAC
- 1-prop-2-enyl-3,7-dihydropurine-2,6-dione
Names & synonyms
1-Allyl-3,7-dihydro-purine-2,6-dioneCHEMBL668991-allylxanthine1H-Purine-2,6-dione, 3,9-dihydro-1-(2-propen-1-yl)-ZJU5Y2U35J146830-80-0SCHEMBL6464355BDBM50042206PD1792871-prop-2-enyl-3,7-dihydropurine-2,6-dione3,9-dihydro-1-(2-propen-1-yl)-1H-Purine-2,6-dione
Database identifiers
- CAS
146830-80-0- PubChem CID
- 14969716
- ChEMBL
CHEMBL66899- UNII
- ZJU5Y2U35J
- Nikkaji
- J569.417E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…