Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C1=NC2=C(N1)C=C(C=C2)C(=O)NCC1=CC=CC=C1Cl

InChIKey

InChIKey=DDIGRLWRXCVVPR-ICBNADEASA-N

Formula

C21H22ClN3O6

Mass

447.87

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

Nucleoside and nucleotide analogues

Subclass

2-pyranosylbenzimidazoles

Intermediate Tree Nodes

Not available

Direct Parent

2-pyranosylbenzimidazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as 2-pyranosylbenzimidazoles. These are nucleoside and nucleotide analogs with a structure that consists of a benzimidazole 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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