Basic information
- Standard SMILES
CCCCn1c(=O)n(CC)c(=O)c2[nH]c(Cl)nc21- InChIKey
CNKGFJPRCJQATK-UHFFFAOYSA-N- Molecular formula
- C11H15ClN4O2
- Average molar mass
- 270.71 g/mol
Names & identifiers
- Preferred name
- 3-Butyl-8-chloro-1-ethyl-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 3-butyl-8-chloro-1-ethyl-7H-purine-2,6-dione
Names & synonyms
SCHEMBL3179805CHEMBL3731975CNKGFJPRCJQATK-UHFFFAOYSA-N3-Butyl-8-chloro-1-ethyl-3,7-dihydro-1H-purine-2,6-dione
Database identifiers
- PubChem CID
- 59299543
- ChEMBL
CHEMBL3731975
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Related reactions
4 records
Compound notes
Loading…