Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)CSC1=NC2=CC=CC=C2C2=NC(CC[NH+]3CCCCC3)=NN12
InChIKey
InChIKey=SRGKNUMZHVDAGA-UHFFFAOYSA-O
Formula
C24H25BrN5OS
Mass
511.46
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
Quinazolines Triazolopyrimidines Aryl alkyl ketones Benzoyl derivatives Bromobenzenes Aralkylamines Alkylarylthioethers Pyrimidines and pyrimidine derivatives Piperidines Aryl bromides Triazoles Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Azacyclic compounds Sulfenyl compounds Organobromides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Quinazoline - Triazolopyrimidine - Aryl thioether - Aryl alkyl ketone - Benzoyl - Halobenzene - Bromobenzene - Aralkylamine - Alkylarylthioether - Pyrimidine - Aryl bromide - Piperidine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Triazole - 1,2,4-triazole - Azole - Heteroaromatic compound - Quaternary ammonium salt - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organosulfur compound - Organic oxide - Organic cation - 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