Compound Identification
SMILES
CC1=NC2=C(N=CN=C2N)N1[C@@H]1O[C@@H]2COP(=O)(O[C@H]2[C@H]1O)SCC(=O)C(=O)CBr
InChIKey
InChIKey=JYCUBQYRPUXEPV-WLVWTPNGSA-N
Formula
C15H17BrN5O7PS
Mass
522.27
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 Aminopyrimidines and derivatives Alpha-diketones N-substituted imidazoles Monosaccharides Imidolactams Oxolanes Alpha-haloketones Heteroaromatic compounds Secondary alcohols Sulfenyl compounds Oxacyclic compounds Organothiophosphorus compounds Azacyclic compounds Primary amines Alkyl bromides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3',5'-cyclic purine nucleoside phosphorothioate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Purine - Imidazopyrimidine - Aminopyrimidine - N-substituted imidazole - Alpha-diketone - Monosaccharide - Pyrimidine - Imidolactam - Alpha-haloketone - Azole - Imidazole - Heteroaromatic compound - Oxolane - Ketone - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organothiophosphorus compound - Organic oxygen compound - Primary amine - Alkyl halide - Alkyl bromide - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organosulfur compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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