Compound Identification
SMILES
O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C1N=C(SCC(=O)C1=C(F)C(F)=C(N=[N+]=[N-])C(F)=C1F)N1C=CN=C21
InChIKey
InChIKey=VHHLIURKWSKWSM-FXBDTBDDSA-N
Formula
C20H17F4N8O13P3S
Mass
778.37
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 Aryl alkyl ketones Phenylazides Benzoyl derivatives Alkylarylthioethers Fluorobenzenes Monoalkyl phosphates Pyrimidines and pyrimidine derivatives Aryl fluorides N-substituted imidazoles Vinylogous halides Oxolanes Heteroaromatic compounds Secondary alcohols Azo compounds Azo imides Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organic zwitterions Organofluorides Organopnictogen compounds Aldehydes Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Imidazopyrimidine - Purine - Benzoyl - Aryl thioether - Phenylazide - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Monoalkyl phosphate - Alkylarylthioether - Aryl fluoride - Benzenoid - Aryl halide - Alkyl phosphate - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Vinylogous halide - Heteroaromatic compound - Azole - Imidazole - Oxolane - Azo compound - Azo imide - Secondary alcohol - Oxacycle - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Thioether - Organic oxide - Organopnictogen compound - Aldehyde - Alcohol - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organic zwitterion - Organic salt - Organonitrogen compound - Organosulfur 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