Compound Identification
SMILES
CCOC(=O)C1=CN=C(SCC(=O)C2=CC=CC=C2)N=C1N
InChIKey
InChIKey=KVJQVOWSLKHYOA-UHFFFAOYSA-N
Formula
C15H15N3O3S
Mass
317.36
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
-
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
Pyrimidinecarboxylic acids Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Aminopyrimidines and derivatives Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Aryl thioether - Benzoyl - Aryl alkyl ketone - Aminopyrimidine - Alkylarylthioether - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organopnictogen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organosulfur compound - Primary amine - Organic oxide - Hydrocarbon derivative - 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