2-[(5-Aminothiadiazolo[5,4-d]pyrimidin-7-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
59886-07-6- Standard SMILES
Nc1nc(NC2OC(CO)C(O)C2O)c2nnsc2n1- InChIKey
BDRUDUPEWIVVBG-UHFFFAOYSA-N- Molecular formula
- C9H12N6O4S
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.06407406
Names & identifiers
- Preferred name
- 2-[(5-Aminothiadiazolo[5,4-d]pyrimidin-7-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-[(5-aminothiadiazolo[5,4-d]pyrimidin-7-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
59886-07-6NSC2716582-[(5-aminothiadiazolo[5,4-d]pyrimidin-7-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diolDTXSID80313529NSC-271658N-(5-Amino[1,2,3]thiadiazolo[5,4-d]pyrimidin-7-yl)pentofuranosylamine
Database identifiers
- CAS
59886-07-6- PubChem CID
- 321352
- DTXSID
DTXSID80313529
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
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Compound notes
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