Basic information
- Standard SMILES
COc1ccc(OC)c(Sc2nc3c(N)ncnc3n2CCc2c(C)cc(C)cc2C)c1- InChIKey
AOTNVPAILGFFOW-UHFFFAOYSA-N- Molecular formula
- C24H27N5O2S
- Average molar mass
- 449.6 g/mol
Names & identifiers
- Preferred name
- 8-(2,5-Dimethoxyphenyl)sulfanyl-9-[2-(2,4,6-trimethylphenyl)ethyl]purin-6-amine
- IUPAC
- 8-(2,5-dimethoxyphenyl)sulfanyl-9-[2-(2,4,6-trimethylphenyl)ethyl]purin-6-amine
Names & synonyms
SCHEMBL3113936
Database identifiers
- PubChem CID
- 24896465
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 589
Related reactions
1 records
Compound notes
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