Structure Information
Structure

Compound Identification

SMILES

[Na+].CCCC(=O)NC1=NC=NC2=C1N=C(N2[C@@H]1O[C@@H]2COP([O-])(=S)O[C@H]2[C@H]1O)C1=CC=CO1

InChIKey

InChIKey=JPPCERQFPVXGIZ-VPTZWOEUSA-M

Formula

C18H19N5NaO7PS

Mass

503.4

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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 - Imidazopyrimidine - Purine - N-arylamide - Fatty amide - Monosaccharide - N-substituted imidazole - Thiophosphoric acid ester - Pyrimidine - Organic thiophosphoric acid or derivatives - Imidolactam - Fatty acyl - Heteroaromatic compound - Oxolane - Furan - Azole - Imidazole - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Oxacycle - Carboxylic acid derivative - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Alcohol - Carbonyl group - Organonitrogen compound - Organic sodium salt - Organooxygen compound - Hydrocarbon derivative - 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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