9-Benzyl-6-(2-phenylethynyl)purine
Basic information
- CAS
292036-87-4- Standard SMILES
C(#Cc1ncnc2c1ncn2Cc1ccccc1)c1ccccc1- InChIKey
WRIGMYJLOIMKSY-UHFFFAOYSA-N- Molecular formula
- C20H14N4
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.12184646
Names & identifiers
- Preferred name
- 9-Benzyl-6-(2-phenylethynyl)purine
- IUPAC
- 9-benzyl-6-(2-phenylethynyl)purine
Names & synonyms
9-Benzyl-6-(phenylethynyl)-9H-purine292036-87-49-benzyl-6-(2-phenylethynyl)purine9-benzyl-6-(2-phenylethynyl)-9H-purineCHEMBL278899DTXSID903328079-Benzyl-6-phenylethynyl-9H-purine
Database identifiers
- CAS
292036-87-4- PubChem CID
- 466484
- DTXSID
DTXSID90332807- ChEMBL
CHEMBL278899- Nikkaji
- J1.341.235I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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