Basic information
- CAS
160516-02-9- Standard SMILES
C=Cc1ncnc2c1ncn2Cc1ccccc1- InChIKey
JUMJYGSRSKEJCW-UHFFFAOYSA-N- Molecular formula
- C14H12N4
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.1061964
Names & identifiers
- Preferred name
- 9H-Purine, 6-ethenyl-9-(phenylmethyl)-
- IUPAC
- 9-benzyl-6-ethenylpurine
Names & synonyms
160516-02-99H-Purine, 6-ethenyl-9-(phenylmethyl)-DTXSID70332820RefChem:313592DTXCID602839139-Benzyl-6-vinyl-9H-purine9-benzyl-6-ethenyl-9H-purine9-benzyl-6-vinyl-purineCHEMBL278409
Database identifiers
- CAS
160516-02-9- PubChem CID
- 467613
- DTXSID
DTXSID70332820- ChEMBL
CHEMBL278409- Nikkaji
- J1.341.237E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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