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]1O)C(Br)=N2
InChIKey
InChIKey=CHTSSROWUAICIL-HUSULMCLSA-M
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 Aminopyrimidines and derivatives Pyrimidones Thiophosphoric acid esters Aryl bromides Monosaccharides N-substituted imidazoles Vinylogous amides Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Organic metal halides Organic zwitterions Organobromides Hydrocarbon derivatives Primary amines Organic oxides Organic sodium salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3',5'-cyclic purine nucleoside phosphorothioate - N-glycosyl compound - Glycosyl compound - Hypoxanthine - 6-oxopurine - Imidazopyrimidine - Purine - Pyrimidone - Aminopyrimidine - Aryl halide - Aryl bromide - Monosaccharide - N-substituted imidazole - Pyrimidine - Thiophosphoric acid ester - Organic thiophosphoric acid or derivatives - Heteroaromatic compound - Imidazole - Oxolane - Azole - Vinylogous amide - Secondary alcohol - Oxacycle - Organic alkali metal salt - Azacycle - Organoheterocyclic compound - Organic metal halide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alcohol - 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