Compound Identification
SMILES
CC(=O)C1=CC=C(C=C1)N1CCN(CC1)C(=O)CN1C(=S)NC2=C(C=CC=N2)C1=O
InChIKey
InChIKey=CIKAYQLDEFAUAA-UHFFFAOYSA-N
Formula
C21H21N5O3S
Mass
423.49
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
Phenylpiperazines N-arylpiperazines Pyrido[2,3-d]pyrimidines Acetophenones Aniline and substituted anilines Aryl alkyl ketones Dialkylarylamines Benzoyl derivatives 2-Thiopyrimidines Pyrimidones Pyrimidinethiones Pyridines and derivatives Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Thioureas Amino acids and derivatives Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Phenylpiperazine - N-arylpiperazine - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Acetophenone - Benzoyl - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Pyridine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Thiourea - Amino acid or derivatives - Lactam - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxide - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - 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