Compound Identification
SMILES
[Na+].NC1=NC=NC2=C1N=C(N2[C@@H]1O[C@@H]2COP([O-])(=S)O[C@H]2[C@H]1O)C1=CN=CC=C1
InChIKey
InChIKey=OTKCWLPEOANXRN-XBJTWIQLSA-M
Formula
C15H14N6NaO5PS
Mass
444.34
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-aminopurines Aminopyrimidines and derivatives Thiophosphoric acid esters Pyridines and derivatives Imidolactams Monosaccharides N-substituted imidazoles Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Organic zwitterions Hydrocarbon derivatives Primary amines Organic sodium salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3',5'-cyclic purine nucleoside phosphorothioate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Thiophosphoric acid ester - Pyridine - Pyrimidine - Organic thiophosphoric acid or derivatives - Imidolactam - Azole - Oxolane - Imidazole - Heteroaromatic compound - Secondary alcohol - Azacycle - Organic alkali metal salt - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Organic salt - Organic oxide - Primary 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