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
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
Hexoses C-glycosyl compounds Benzothiazoles Benzenoids Imidolactams Oxanes Isoxazoles Heteroaromatic compounds Thiazoles Secondary alcohols Secondary carboxylic acid amides 1,2-diols Azacyclic compounds Dialkyl ethers Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Primary alcohols
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