Compound Identification
SMILES
[Na+].NC1=NC=NC2=C1N=C(SC1=CC=C(Cl)C=C1)N2[C@@H]1O[C@@H]2COP([O-])(=S)O[C@H]2[C@H]1O
InChIKey
InChIKey=AWXMSJRRXLCVMW-JVSRKQJHSA-M
Formula
C16H14ClN5NaO5PS2
Mass
509.85
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-aminopurines Thiophenol ethers Aminopyrimidines and derivatives Chlorobenzenes Thiophosphoric acid esters Aryl chlorides Imidolactams Monosaccharides N-substituted imidazoles Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Organic metal halides Organic sodium salts Organic zwitterions Hydrocarbon derivatives Organochlorides Primary amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3',5'-cyclic purine nucleoside phosphorothioate - Glycosyl compound - N-glycosyl compound - Diarylthioether - 6-aminopurine - Imidazopyrimidine - Purine - Aryl thioether - Thiophenol ether - Aminopyrimidine - Chlorobenzene - Halobenzene - N-substituted imidazole - Imidolactam - Monosaccharide - Thiophosphoric acid ester - Benzenoid - Organic thiophosphoric acid or derivatives - Monocyclic benzene moiety - Pyrimidine - Aryl chloride - Aryl halide - Imidazole - Heteroaromatic compound - Azole - Oxolane - Secondary alcohol - Thioether - Sulfenyl compound - Organic metal halide - Organic alkali metal salt - Oxacycle - Azacycle - Organoheterocyclic compound - Organic salt - Organohalogen compound - Organic oxide - Organochloride - Amine - Organonitrogen compound - Organic oxygen compound - Alcohol - Organooxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic sodium 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