Compound Identification
SMILES
CSC1=NC2=C(SC3=NC(N4CCOCC4)=C4COC(C)(C)CC4=C23)C(SCC(=O)C2=CC=C(Cl)C=C2)=N1
InChIKey
InChIKey=DNQBFOALTHDVCC-UHFFFAOYSA-N
Formula
C27H27ClN4O3S3
Mass
587.17
Taxonomic Classification
Taxonomy Tree
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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
Pyranopyridines Thienopyrimidines Thienopyridines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Alkylarylthioethers Chlorobenzenes Aminopyridines and derivatives Morpholines Imidolactams Aryl chlorides Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Thiophenes Oxacyclic compounds Dialkyl ethers Azacyclic compounds Sulfenyl compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Pyranopyridine - Thienopyridine - Thienopyrimidine - Aryl thioether - Benzoyl - Dialkylarylamine - Aryl alkyl ketone - Aminopyridine - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Thiophene - Heteroaromatic compound - Dialkyl ether - Sulfenyl compound - Oxacycle - Thioether - Organoheterocyclic compound - Azacycle - Ether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - 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