Compound Identification
SMILES
[Na+].NC1=NC(=O)C2=C(N1)N([C@@H]1O[C@@H]3COP(O)(=S)O[C@H]3[C@H]1[O-])C(Br)=N2
InChIKey
InChIKey=CDBMFXISNHGVAK-HUSULMCLSA-N
Formula
C10H10BrN5NaO6PS
Mass
462.15
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Nucleoside and nucleotide analogues
Subclass
3',5'-cyclic purine nucleoside phosphorothioates
Intermediate Tree Nodes
Not available
Direct Parent
3',5'-cyclic purine nucleoside phosphorothioates
Alternative Parents
Glycosylamines 6-oxopurines Hypoxanthines Thiophosphate diesters Pyrimidones Aminopyrimidines and derivatives Aryl bromides Monosaccharides N-substituted imidazoles Vinylogous amides Oxolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organic metal halides Organic sodium salts Organic zwitterions Alkoxides Organobromides Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3',5'-cyclic purine nucleoside phosphorothioate - N-glycosyl compound - Glycosyl compound - 6-oxopurine - Hypoxanthine - Purine - Imidazopyrimidine - Aminopyrimidine - Thiophosphate diester - Pyrimidone - Organic thiophosphoric acid or derivatives - Monosaccharide - N-substituted imidazole - Thiophosphoric acid ester - Pyrimidine - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Imidazole - Oxolane - Vinylogous amide - Organic metal halide - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Alkoxide - Organohalogen compound - Organic sodium salt - Organobromide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Primary amine - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3',5'-cyclic purine nucleoside phosphorothioates. These are 3',5'-cyclic purine nucleoside phosphate analogues, where a phosphate oxygen has been exchanged for sulphur generating a chiral phosphorothioate. In 3',5'-cyclic nucleoside phosphorothioate, the oxygen atoms at the 3'- and 5'-positions of the ribose are part of the phosphorothioate group.
External Descriptors
Not available