Basic information
- CAS
328390-10-9- Standard SMILES
C#CCn1ncc2c(SC)ncnc21- InChIKey
LZIZCEMJICXOAR-UHFFFAOYSA-N- Molecular formula
- C9H8N4S
- Average molar mass
- 204.25 g/mol
- Monoisotopic mass
- 204.04696745
Names & identifiers
- Preferred name
- 1H-Pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-(2-propynyl)-
- IUPAC
- 4-methylsulfanyl-1-prop-2-ynylpyrazolo[5,4-d]pyrimidine
Names & synonyms
328390-10-94-(Methylthio)-1-(prop-2-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidine4-(methylsulfanyl)-1-(prop-2-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidineNSC7030691H-Pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-(2-propynyl)-CHEMBL1973520DTXSID80327924NSC-703069NCI60_0368204-methylthio-1-propargyl-1H-pyrazolo[3,4-d]pyrimidine4-methylsulfanyl-1-prop-2-ynyl-pyrazolo[3,4-d]pyrimidine
Database identifiers
- CAS
328390-10-9- PubChem CID
- 396580
- DTXSID
DTXSID80327924- ChEMBL
CHEMBL1973520
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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