Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)CSC1=NC=NC2=C1N=CN2CC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=NVJZICXWZYNVMT-UHFFFAOYSA-N
Formula
C21H14Br2N4O2S
Mass
546.24
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
6-thiopurines Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Alkylarylthioethers Pyrimidines and pyrimidine derivatives N-substituted imidazoles Aryl bromides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 6-thiopurine - Imidazopyrimidine - Purine - Benzoyl - Aryl thioether - Aryl alkyl ketone - Bromobenzene - Halobenzene - Alkylarylthioether - Benzenoid - Pyrimidine - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Aryl bromide - Heteroaromatic compound - Azole - Imidazole - Sulfenyl compound - Thioether - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organobromide - 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