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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Nucleosides, nucleotides, and analogues
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Class
Nucleoside and nucleotide analogues
- Subclass 2-pyranosylbenzimidazoles
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Class
Nucleoside and nucleotide analogues
-
Superclass
Nucleosides, nucleotides, and analogues
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
Hexoses C-glycosyl compounds Benzimidazoles Chlorobenzenes Oxanes Aryl chlorides Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Primary alcohols
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