Basic information
- CAS
122949-64-8- Standard SMILES
CC(=O)OCCOCn1nc(C#N)c2c(N)ncnc21- InChIKey
KGRSLXVEYZAAHW-UHFFFAOYSA-N- Molecular formula
- C11H12N6O3
- Average molar mass
- 276.25 g/mol
- Monoisotopic mass
- 276.09708827
Names & identifiers
- Preferred name
- 1H-Pyrazolo(3,4-d)pyrimidine-3-carbonitrile, 1-((2-(acetyloxy)ethoxy)methyl)-4-amino-
- IUPAC
- 2-[(4-amino-3-cyanopyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl acetate
Names & synonyms
122949-64-81H-Pyrazolo(3,4-d)pyrimidine-3-carbonitrile, 1-((2-(acetyloxy)ethoxy)methyl)-4-amino-2-[(4-amino-3-cyano-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl acetate1H-Pyrazolo[3,4-d]pyrimidine-3-carbonitrile, 1-[[2-(acetyloxy)ethoxy]methyl]-4-amino-CHEMBL305543DTXSID201538052-[(4-amino-3-cyano-pyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl acetate
Database identifiers
- CAS
122949-64-8- PubChem CID
- 516152
- DTXSID
DTXSID20153805- ChEMBL
CHEMBL305543- Nikkaji
- J325.484D
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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