2-[(4-Acetamido-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl acetate
Basic information
- Standard SMILES
CC(=O)Nc1nc(S(C)(=O)=O)nc2c1cnn2COCCOC(C)=O- InChIKey
UVHLDUGOZPNSEQ-UHFFFAOYSA-N- Molecular formula
- C13H17N5O6S
- Average molar mass
- 371.37 g/mol
- Monoisotopic mass
- 371.08995445
Names & identifiers
- Preferred name
- 2-[(4-Acetamido-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl acetate
- IUPAC
- 2-[(4-acetamido-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl acetate
Names & synonyms
NSC619124NSC-619124
Database identifiers
- PubChem CID
- 358957
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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