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