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)NCC1=CN=C(Cl)C=C1
InChIKey
InChIKey=FOEHPJISIMIMLW-COWMOVNHSA-N
Formula
C20H20ClN3O6S
Mass
465.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Nucleosides, nucleotides, and analogues
-
Class
Nucleoside and nucleotide analogues
- Subclass 2-pyranosylbenzothiazoles
-
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-pyranosylbenzothiazoles
Intermediate Tree Nodes
Not available
Direct Parent
2-pyranosylbenzothiazoles
Alternative Parents
Hexoses C-glycosyl compounds Benzothiazoles 2-halopyridines Aryl chlorides Benzenoids Oxanes Heteroaromatic compounds Thiazoles Secondary alcohols Secondary carboxylic acid amides 1,2-diols Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Primary alcohols Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-pyranosylbenzothiazole - Hexose monosaccharide - Glycosyl compound - C-glycosyl compound - 1,3-benzothiazole - 2-halopyridine - Monosaccharide - Oxane - Aryl chloride - Pyridine - Benzenoid - Aryl halide - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - 1,2-diol - Secondary alcohol - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Polyol - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Primary alcohol - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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