9H-Purine, 9-(phenylmethyl)-6-(2-propenyloxy)-
Basic information
- CAS
108160-09-4- Standard SMILES
C=CCOc1ncnc2c1ncn2Cc1ccccc1- InChIKey
RKAMAIHKMRNOMJ-UHFFFAOYSA-N- Molecular formula
- C15H14N4O
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.11676108
Names & identifiers
- Preferred name
- 9H-Purine, 9-(phenylmethyl)-6-(2-propenyloxy)-
- IUPAC
- 9-benzyl-6-prop-2-enoxypurine
Names & synonyms
108160-09-46-(Allyloxy)-9-benzyl-9H-purine9H-Purine, 9-(phenylmethyl)-6-(2-propenyloxy)-6-allyloxy-9-benzyl-9h-purine9-Benzyl-6-[(prop-2-en-1-yl)oxy]-9H-purineDTXSID80546138
Database identifiers
- CAS
108160-09-4- PubChem CID
- 13664385
- DTXSID
DTXSID80546138
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
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Compound notes
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