Basic information
- Standard SMILES
C=CCn1c(Cl)nc2[nH]c(=O)[nH]c(=O)c21- InChIKey
KOZZYIHVPUEIPB-UHFFFAOYSA-N- Molecular formula
- C8H7ClN4O2
- Average molar mass
- 226.62 g/mol
- Monoisotopic mass
- 226.0257532
Names & identifiers
- Preferred name
- 7-Allyl-8-chloro-1H-purine-2,6(3H,7H)-dione
- IUPAC
- 8-chloro-7-prop-2-enyl-3H-purine-2,6-dione
Names & synonyms
7-Allyl-8-chloro-1H-purine-2,6(3H,7H)-dione862893-33-28-chloro-7-(2-propen-1-yl)-3,7-dihydro-1H-purine-2,6-dione8-chloro-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dioneSCHEMBL835443KOZZYIHVPUEIPB-UHFFFAOYSA-NDB-1975907-Allyl-8-chloro-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- PubChem CID
- 59299532
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 322
Related reactions
45 records
Compound notes
Loading…