7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine
Basic information
- CAS
64372-71-0- Standard SMILES
O=[N+]([O-])c1ccc(CSc2ncnc3c2cnn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1- InChIKey
NSHWXIMQXLHUQU-VMUDFCTBSA-N- Molecular formula
- C17H17N5O6S
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.08995445
Names & identifiers
- Preferred name
- 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine
- IUPAC
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidin-1-yl]oxolane-3,4-diol
Names & synonyms
7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diolNSC 2691381H-Pyrazolo(3,4-d)pyrimidine, 4-(((4-nitrophenyl)methyl)thio)-1-beta-D-ribofuranosyl-
Database identifiers
- CAS
64372-71-0- PubChem CID
- 100228
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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