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Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C1=NC2=C(S1)C=CC(=C2)C(=O)NC1=CC(Cl)=C(F)C=C1

InChIKey

InChIKey=XEMUHBSEJINTBB-PLLDYVMSSA-N

Formula

C20H18ClFN2O6S

Mass

468.88

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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 - Aromatic anilide - Hexose monosaccharide - Glycosyl compound - C-glycosyl compound - 1,3-benzothiazole - Chlorobenzene - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl chloride - Aryl fluoride - Benzenoid - Monosaccharide - Oxane - Aryl halide - Heteroaromatic compound - Thiazole - Azole - 1,2-diol - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Polyol - Organonitrogen compound - Alcohol - Organohalogen compound - Organochloride - Organofluoride - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - 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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