Compound Identification
SMILES
CO[C@H]1[C@@H](O[C@@H]2COP(O)(=S)O[C@@H]12)N1C(SC2=CC=C(Cl)C=C2)=NC2=C1N=CN=C2N
InChIKey
InChIKey=AHGYSTSKKABLLZ-LQCNHLKASA-N
Formula
C17H17ClN5O5PS2
Mass
501.9
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 Thiophosphate diesters Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides N-substituted imidazoles Monosaccharides Imidolactams Oxolanes Heteroaromatic compounds Dialkyl ethers Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Organochlorides Hydrocarbon derivatives Primary amines
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 - Thiophosphate diester - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Monosaccharide - N-substituted imidazole - Thiophosphoric acid ester - Imidolactam - Pyrimidine - Benzenoid - Organic thiophosphoric acid or derivatives - Azole - Oxolane - Heteroaromatic compound - Imidazole - Dialkyl ether - Sulfenyl compound - Organoheterocyclic compound - Thioether - Azacycle - Oxacycle - Ether - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Primary amine - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Amine - Organochloride - 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