Compound Identification
SMILES
COC1C(OC2COP(O)(=S)OC12)N1C=NC2=C1N=C(Br)N=C2N
InChIKey
InChIKey=RBVJWWJPDALAJM-UHFFFAOYSA-N
Formula
C11H13BrN5O5PS
Mass
438.19
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 2-halopyrimidines Aminopyrimidines and derivatives N-substituted imidazoles Monosaccharides Imidolactams Aryl bromides Oxolanes Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives 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 - 2-halopyrimidine - Halopyrimidine - Thiophosphate diester - Aryl bromide - Aryl halide - Monosaccharide - N-substituted imidazole - Thiophosphoric acid ester - Pyrimidine - Imidolactam - Organic thiophosphoric acid or derivatives - Azole - Oxolane - Imidazole - Heteroaromatic compound - Dialkyl ether - Organoheterocyclic compound - Ether - Azacycle - Oxacycle - Organobromide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organohalogen 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