Compound Identification
SMILES
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=IVNQJYQKSYRLTE-IYKFWPKASA-N
Formula
C16H15ClN5O5PS2
Mass
487.87
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 Imidolactams Monosaccharides N-substituted imidazoles Heteroaromatic compounds Oxolanes Secondary alcohols Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Primary amines Organochlorides
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 - Secondary alcohol - Sulfenyl compound - Thioether - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Organosulfur compound - Organochloride - Primary amine - Alcohol - Organonitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organooxygen compound - Organic oxygen 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