Basic information
- CAS
64372-71-0- Standard SMILES
O=[N+]([O-])c1ccc(CSc2ncnc3c2cnn3C2OC(CO)C(O)C2O)cc1- InChIKey
NSHWXIMQXLHUQU-UHFFFAOYSA-N- Molecular formula
- C17H17N5O6S
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.08995445
Names & identifiers
- Preferred name
- 4-{[(4-Nitrophenyl)methyl]sulfanyl}-1-pentofuranosyl-1H-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidin-1-yl]oxolane-3,4-diol
Names & synonyms
DTXSID30982926NSC269138NSC-2691384-{[(4-Nitrophenyl)methyl]sulfanyl}-1-pentofuranosyl-1H-pyrazolo[3,4-d]pyrimidine
Database identifiers
- CAS
64372-71-0- PubChem CID
- 320693
- DTXSID
DTXSID30982926
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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