Structure Information
Structure

Compound Identification

SMILES

CO[C@H]1[C@@H](O[C@@H]2COP(O)(=S)O[C@@H]12)N1C(Br)=NC2=C1N=CN=C2N

InChIKey

InChIKey=CGJCWHXUSTULRT-BZXLRHNSSA-N

Formula

C11H13BrN5O5PS

Mass

438.19

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3',5'-cyclic purine nucleoside phosphorothioate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Purine - Imidazopyrimidine - Aminopyrimidine - Thiophosphate diester - Aryl bromide - N-substituted imidazole - Aryl halide - Thiophosphoric acid ester - Imidolactam - Organic thiophosphoric acid or derivatives - Pyrimidine - Monosaccharide - Imidazole - Oxolane - Azole - Heteroaromatic compound - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen 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

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