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Basic information
- Standard SMILES
CSc1nc(N)c2cnn(C3OC(CO)C(O)C3O)c2n1- InChIKey
RGMKRUSODLPKLC-UHFFFAOYSA-N- Molecular formula
- C11H15N5O4S
- Average molar mass
- 313.34 g/mol
- Monoisotopic mass
- 313.08447515
Names & identifiers
- Preferred name
- 2-(4-Amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
NSC611435NSC610181NSC611433NSC614557NSC618367ZINC01611405NSC-610181NSC-611433NSC-611435NSC-614557NSC-618367
Database identifiers
- PubChem CID
- 355807
Properties
Computed structural propertiesFilling in
- XLogP
- -0.9
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
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Compound notes
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