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Structure Information
Structure

Compound Identification

SMILES

CC1=CC(NC(=O)C2=CC3=C(SC(=N3)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C=C2)=NO1

InChIKey

InChIKey=NKAJPGYUQBNNDQ-NVAJDRRBSA-N

Formula

C18H19N3O7S

Mass

421.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

Nucleoside and nucleotide analogues

Subclass

2-pyranosylbenzothiazoles

Intermediate Tree Nodes

Not available

Direct Parent

2-pyranosylbenzothiazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-pyranosylbenzothiazole - Hexose monosaccharide - C-glycosyl compound - Glycosyl compound - 1,3-benzothiazole - Monosaccharide - Oxane - Benzenoid - Imidolactam - Heteroaromatic compound - Azole - Thiazole - Isoxazole - Carboxamide group - Secondary carboxylic acid amide - 1,2-diol - Secondary alcohol - Organoheterocyclic compound - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Polyol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Primary alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-pyranosylbenzothiazoles. These are nucleoside and nucleotide analogs with a structure that consists of a benzothiazole base which is N-substituted at the 2-position with a pyranose moiety. Nucleotide analogues contain a phosphate group linked to the C5 carbon atom of the pyranose.

External Descriptors

Not available

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