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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
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
Purines and purine derivatives Benzoyl derivatives Aryl alkyl ketones Phenylazides Fluorobenzenes Alkylarylthioethers N-substituted imidazoles Aryl fluorides Pyrimidines and pyrimidine derivatives Vinylogous halides Oxolanes Heteroaromatic compounds Secondary alcohols Azo compounds Azo imides Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides Primary alcohols
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