Basic information
- Standard SMILES
COc1ccc(OC)c(Sc2nc3c(N)ncnc3n2CCc2ccc(Br)cc2)c1- InChIKey
RNWFEZHYRPNJRV-UHFFFAOYSA-N- Molecular formula
- C21H20BrN5O2S
- Average molar mass
- 486.4 g/mol
Names & identifiers
- Preferred name
- 9-[2-(4-Bromophenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanylpurin-6-amine
- IUPAC
- 9-[2-(4-bromophenyl)ethyl]-8-(2,5-dimethoxyphenyl)sulfanylpurin-6-amine
Names & synonyms
SCHEMBL3119609
Database identifiers
- PubChem CID
- 24896553
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 542
Related reactions
1 records
Compound notes
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