Compound Identification
SMILES
COC1=C(Br)C=C(CCNC(=O)NC2=CC3=C(C=C2)N=C(N3)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1
InChIKey
InChIKey=ZWHNAZKRKAIGLU-YMQHIKHWSA-N
Formula
C23H27BrN4O7
Mass
551.394
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-pyranosylbenzimidazoles
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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-pyranosylbenzimidazoles
Intermediate Tree Nodes
Not available
Direct Parent
2-pyranosylbenzimidazoles
Alternative Parents
Hexoses C-glycosyl compounds Benzimidazoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Oxanes Aryl bromides Imidazoles Heteroaromatic compounds Ureas Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Primary alcohols Organobromides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-pyranosylbenzimidazole - Hexose monosaccharide - C-glycosyl compound - Glycosyl compound - Benzimidazole - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Monosaccharide - Oxane - Aryl halide - Benzenoid - Aryl bromide - Azole - Heteroaromatic compound - Imidazole - Urea - Secondary alcohol - 1,2-diol - Organoheterocyclic compound - Ether - Dialkyl ether - Polyol - Oxacycle - Azacycle - Primary alcohol - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - 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