Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(Oc2ncnc3[nH]ncc23)cc1- InChIKey
ILJDIGKKBIPZKA-UHFFFAOYSA-N- Molecular formula
- C12H10N4O3S
- Average molar mass
- 290.3 g/mol
Names & identifiers
- Preferred name
- 4-(4-methanesulfonyl-phenoxy)-1H-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 4-(4-methylsulfonylphenoxy)-1H-pyrazolo[5,4-d]pyrimidine
Names & synonyms
SCHEMBL1129105ILJDIGKKBIPZKA-UHFFFAOYSA-N4-(4-methanesulfonyl-phenoxy)-1H-pyrazolo[3,4-d]pyrimidine
Database identifiers
- PubChem CID
- 57965014
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 430
Related reactions
4 records
Compound notes
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