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(SC1=CC=C(Cl)C=C1)=N2
InChIKey
InChIKey=JERAACMSJYSCBY-OZOPYAHTSA-M
Formula
C16H14ClN5NaO6PS2
Mass
525.85
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 Diarylthioethers Hypoxanthines 6-oxopurines Thiophenol ethers Chlorobenzenes Pyrimidones Aminopyrimidines and derivatives Thiophosphoric acid esters Monosaccharides N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Oxolanes Secondary alcohols Organic metal halides Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organochlorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3',5'-cyclic purine nucleoside phosphorothioate - Glycosyl compound - N-glycosyl compound - Diarylthioether - 6-oxopurine - Hypoxanthine - Imidazopyrimidine - Purine - Aryl thioether - Thiophenol ether - Halobenzene - Chlorobenzene - Pyrimidone - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Monocyclic benzene moiety - Pyrimidine - Organic thiophosphoric acid or derivatives - Aryl halide - Benzenoid - Aryl chloride - Thiophosphoric acid ester - Imidazole - Vinylogous amide - Azole - Heteroaromatic compound - Oxolane - Secondary alcohol - Organoheterocyclic compound - Thioether - Azacycle - Sulfenyl compound - Organic metal halide - Organic alkali metal salt - Oxacycle - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Primary amine - Alcohol - Organic zwitterion - Organic oxide - Organic salt - Amine - Organic sodium salt - 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