Structure Information
Structure

Compound Identification

SMILES

NCCNC1=NC2=C(N=CN=C2N)N1[C@@H]1O[C@@H]2COP(O)(=S)O[C@H]2[C@H]1O

InChIKey

InChIKey=QJVPBGACPVWUEA-PBTRTUTOSA-N

Formula

C12H18N7O5PS

Mass

403.35

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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 - Imidazopyrimidine - Purine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Thiophosphate diester - Aminoimidazole - Monosaccharide - N-substituted imidazole - Thiophosphoric acid ester - Pyrimidine - Imidolactam - Organic thiophosphoric acid or derivatives - Azole - Oxolane - Heteroaromatic compound - Imidazole - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Amine - Alcohol - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Primary 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

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