Compound Identification
SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=NC2=C(N1)C=C(NC(=O)NC1=CC=CC(=C1)C(F)(F)F)C=C2
InChIKey
InChIKey=BOZLDSOPCSUACA-UYTYNIKBSA-N
Formula
C21H21F3N4O6
Mass
482.416
Taxonomic Classification
Taxonomy Tree
-
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 Trifluoromethylbenzenes N-phenylureas Benzimidazoles Oxanes Heteroaromatic compounds Imidazoles Ureas Secondary alcohols 1,2-diols Azacyclic compounds Oxacyclic compounds Dialkyl ethers Primary alcohols Carbonyl compounds Organonitrogen compounds Alkyl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-pyranosylbenzimidazole - Hexose monosaccharide - Glycosyl compound - C-glycosyl compound - Trifluoromethylbenzene - N-phenylurea - Benzimidazole - Monosaccharide - Benzenoid - Monocyclic benzene moiety - Oxane - Heteroaromatic compound - Azole - Imidazole - 1,2-diol - Urea - Secondary alcohol - Ether - Dialkyl ether - Polyol - Organoheterocyclic compound - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Alcohol - 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