2-chloro-6-(2-methoxyphenyl)sulfanyl-7H-purine
Basic information
- CAS
646510-26-1- Standard SMILES
COc1ccccc1Sc1nc(Cl)nc2nc[nH]c12- InChIKey
TWQRUJSYNRQEDT-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4OS
- Average molar mass
- 292.74 g/mol
- Monoisotopic mass
- 292.0185598
Names & identifiers
- Preferred name
- 2-chloro-6-(2-methoxyphenyl)sulfanyl-7H-purine
- IUPAC
- 2-chloro-6-(2-methoxyphenyl)sulfanyl-7H-purine
Names & synonyms
646510-26-12-Chloro-6-((2-methoxyphenyl)thio)-1H-purine2-chloro-6-(2-methoxyphenyl)sulfanyl-7H-purineDTXSID003336232-chloro-6-(2-methoxyphenyl)sulfanyl-9H-purine9H-Purine, 2-chloro-6-[(2-methoxyphenyl)thio]-2-Chloro-6-[(2-methoxyphenyl)sulfanyl]-7H-purine
Database identifiers
- CAS
646510-26-1- PubChem CID
- 514795
- DTXSID
DTXSID00333623
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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