Basic information
- CAS
78586-37-5- Standard SMILES
CC(=O)OCC1OC(n2ncc3c(NCc4ccccc4)ncnc32)C(O)C1O- InChIKey
ROWUGBGBZJEZHT-UHFFFAOYSA-N- Molecular formula
- C19H21N5O5
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.15426879
Names & identifiers
- Preferred name
- [5-[4-(Benzylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl acetate
- IUPAC
- [5-[4-(benzylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl acetate
Names & synonyms
78586-37-5NSC269139[5-[4-(benzylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl acetateDTXSID80313342NSC-2691391-(5-O-Acetylpentofuranosyl)-N-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- CAS
78586-37-5- PubChem CID
- 320694
- DTXSID
DTXSID80313342
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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