Basic information
- Standard SMILES
COc1cc(OC)c(C2=NC3=NC=NC(=O)C3=N2)cc1Br- InChIKey
JGARLWSRAPHLQX-UHFFFAOYSA-N- Molecular formula
- C13H9BrN4O3
- Average molar mass
- 349.14 g/mol
Names & identifiers
- Preferred name
- 8-(5-Bromo-2,4-dimethoxy-phenyl)-purin-6-one
- IUPAC
- 8-(5-bromo-2,4-dimethoxyphenyl)purin-6-one
Names & synonyms
SCHEMBL10687172JGARLWSRAPHLQX-UHFFFAOYSA-N8-(5-Bromo-2,4-dimethoxy-phenyl)-purin-6-one
Database identifiers
- PubChem CID
- 20153204
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 584
Related reactions
1 records
Compound notes
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