Structure Information
Structure

Compound Identification

SMILES

[Na+].NC1=NC(=O)C2=C(N1)N([C@@H]1O[C@@H]3COP([O-])(=S)O[C@H]3[C@H]1O)C(Br)=N2

InChIKey

InChIKey=CHTSSROWUAICIL-HUSULMCLSA-M

Formula

C10H10BrN5NaO6PS

Mass

462.15

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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 - N-glycosyl compound - Glycosyl compound - Hypoxanthine - 6-oxopurine - Imidazopyrimidine - Purine - Pyrimidone - Aminopyrimidine - Aryl halide - Aryl bromide - Monosaccharide - N-substituted imidazole - Pyrimidine - Thiophosphoric acid ester - Organic thiophosphoric acid or derivatives - Heteroaromatic compound - Imidazole - Oxolane - Azole - Vinylogous amide - Secondary alcohol - Oxacycle - Organic alkali metal salt - Azacycle - Organoheterocyclic compound - Organic metal halide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alcohol - 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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