Structure Information
Structure

Compound Identification

SMILES

[Na+].NC1=NC(=O)C2=C(N1)N([C@@H]1O[C@@H]3COP([O-])(=O)O[C@H]3[C@H]1O)C(SC1=CC=C(Cl)C=C1)=N2

InChIKey

InChIKey=REEQGIQRCDWDRA-ZBMQJGODSA-M

Formula

C16H14ClN5NaO7PS

Mass

509.79

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Subclass

Cyclic purine nucleotides

Intermediate Tree Nodes

Not available

Direct Parent

3',5'-cyclic purine nucleotides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3',5'-cyclic purine ribonucleotide - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Diarylthioether - 6-oxopurine - Hypoxanthine - Monosaccharide phosphate - Purine - Imidazopyrimidine - Aryl thioether - Thiophenol ether - Aminopyrimidine - Pyrimidone - Chlorobenzene - Halobenzene - Benzenoid - N-substituted imidazole - Organic phosphoric acid derivative - Monosaccharide - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Aryl chloride - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Tetrahydrofuran - Secondary alcohol - Thioether - Organic metal halide - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Sulfenyl compound - Organonitrogen compound - Alcohol - Organic sodium salt - Organosulfur compound - Organooxygen compound - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organic salt - Organic zwitterion - Organohalogen compound - Organopnictogen compound - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3',5'-cyclic purine nucleotides. These are purine nucleotides in which the oxygen atoms linked to the C3 and C5 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group.

External Descriptors

Not available

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