Basic information
- CAS
78586-36-4- Standard SMILES
OCC1OC(n2ncc3c(NCc4ccccc4)ncnc32)C(O)C1O- InChIKey
JCFOJPMXEBKNPQ-UHFFFAOYSA-N- Molecular formula
- C17H19N5O4
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.1437041
Names & identifiers
- Preferred name
- N-Benzyl-1-pentofuranosyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 2-[4-(benzylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
78586-36-4NSC269137DTXSID20313341N-Benzyl-1-pentofuranosyl-1H-pyrazolo[3,4-d]pyrimidin-4-amineNSC-269137
Database identifiers
- CAS
78586-36-4- PubChem CID
- 320692
- DTXSID
DTXSID20313341
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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