Compound Identification
SMILES
CCCC(=O)O[C@@H]1[C@@H]2OP(O)(=S)OC[C@H]2O[C@H]1N1C(Br)=NC2=C1N=CN=C2N
InChIKey
InChIKey=KWTXVSKODFLFLA-FURJIFEMSA-N
Formula
C14H17BrN5O6PS
Mass
494.26
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 Thiophosphate diesters Aminopyrimidines and derivatives Fatty acid esters N-substituted imidazoles Monosaccharides Imidolactams Aryl bromides Oxolanes Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3',5'-cyclic purine nucleoside phosphorothioate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Fatty acid ester - Thiophosphate diester - Aryl bromide - Aryl halide - Monosaccharide - N-substituted imidazole - Thiophosphoric acid ester - Pyrimidine - Fatty acyl - Organic thiophosphoric acid or derivatives - Imidolactam - Azole - Oxolane - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organooxygen compound - Organobromide - Primary amine - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen 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