Basic information
- CAS
646510-08-9- Standard SMILES
COc1ccc(Sc2ncnc3nc[nH]c23)cc1- InChIKey
JMGCYSLZRQCADR-UHFFFAOYSA-N- Molecular formula
- C12H10N4OS
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.05753213
Names & identifiers
- Preferred name
- 6-(4-methoxyphenyl)sulfanyl-7H-purine
- IUPAC
- 6-(4-methoxyphenyl)sulfanyl-7H-purine
Names & synonyms
646510-08-96-((4-Methoxyphenyl)thio)-1H-purineCHEMBL47509456-(4-methoxyphenyl)sulfanyl-7H-purine6-(4-Methoxybenzenethio)purineSCHEMBL27739109DTXSID80332952BDBM505624056-(4-methoxyphenyl)sulfanyl-9H-purine6-[(4-Methoxyphenyl)sulfanyl]-7H-purine
Database identifiers
- CAS
646510-08-9- PubChem CID
- 472986
- DTXSID
DTXSID80332952- ChEMBL
CHEMBL4750945
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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