1-(2-Methoxyphenyl)-6-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidine
Basic information
- CAS
1383789-09-0- Standard SMILES
COc1ccccc1-n1ncc2cnc(S(C)(=O)=O)nc21- InChIKey
RIIPEWLWRMVNLY-UHFFFAOYSA-N- Molecular formula
- C13H12N4O3S
- Average molar mass
- 304.33 g/mol
- Monoisotopic mass
- 304.06301143
Names & identifiers
- Preferred name
- 1-(2-Methoxyphenyl)-6-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 1-(2-methoxyphenyl)-6-methylsulfonylpyrazolo[3,4-d]pyrimidine
Names & synonyms
1383789-09-01-(2-Methoxyphenyl)-6-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidine1H-Pyrazolo[3,4-d]pyrimidine, 1-(2-methoxyphenyl)-6-(methylsulfonyl)-starbld0012432DTXSID1011574816-(Methanesulfonyl)-1-(2-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine1-(2-Methoxyphenyl)-6-(methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidine, AldrichCPR
Database identifiers
- CAS
1383789-09-0- PubChem CID
- 97046708
- DTXSID
DTXSID101157481
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 467
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Compound notes
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