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