Basic information
- CAS
21802-76-6- Standard SMILES
COc1ncnc2ncn(Cc3ccccc3)c12- InChIKey
AQEQMZIQUIYEOE-UHFFFAOYSA-N- Molecular formula
- C13H12N4O
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.10111102
Names & identifiers
- Preferred name
- 7-Benzyl-6-methoxy-7H-purine
- IUPAC
- 7-benzyl-6-methoxypurine
Names & synonyms
7-Benzyl-6-methoxy-7H-purine21802-76-6Purine, 7-benzyl-6-methoxy-NSC38839SCHEMBL28663481DTXSID80944413NSC-38839
Database identifiers
- CAS
21802-76-6- PubChem CID
- 236396
- DTXSID
DTXSID80944413- Nikkaji
- J2.999.730F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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