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Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=C(SCC(=O)C1=C(F)C(F)=C(N=[N+]=[N-])C(F)=C1F)N1C=CN=C21

InChIKey

InChIKey=CZIRORRYRLCKKS-FXBDTBDDSA-N

Formula

C20H14F4N8O4S

Mass

538.44

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alkyl-phenylketone - Imidazopyrimidine - Purine - Aryl thioether - Benzoyl - Phenylazide - Aryl alkyl ketone - Halobenzene - Fluorobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Imidazole - Oxolane - Vinylogous halide - Azole - Azo compound - Azo imide - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Thioether - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Primary alcohol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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