Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)CN(C1=NCCN1)C1=NN=C(S1)C(C)C
InChIKey
InChIKey=UKNKVFIGUAZNHV-UHFFFAOYSA-N
Formula
C17H21N5O2S
Mass
359.45
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
Phenoxy compounds Anisoles Methoxybenzenes Aryl alkyl ketones Benzoyl derivatives 2-amino-5-substituted-1,3,4-thiadiazoles Alkyl aryl ethers Imidazolines Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenol ether - Aryl alkyl ketone - Benzoyl - Methoxybenzene - Anisole - Phenoxy compound - 2-amino-5-substituted-1,3,4-thiadiazole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 2-amino-1,3,4-thiadiazole - 2-imidazoline - Heteroaromatic compound - Azole - Thiadiazole - Guanidine - Azacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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