Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)CSC1=NC(=O)C2=C(N1)N=CN2
InChIKey
InChIKey=AEHJCCFSGVLWBV-UHFFFAOYSA-N
Formula
C14H12N4O3S
Mass
316.34
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
6-oxopurines Hypoxanthines Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers Pyrimidones Imidazoles Heteroaromatic compounds Vinylogous amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 6-oxopurine - Hypoxanthine - Purinone - Imidazopyrimidine - Purine - Anisole - Benzoyl - Phenoxy compound - Aryl thioether - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Pyrimidone - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Sulfenyl compound - Thioether - Azacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - 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