Compound Identification
SMILES
CC(=O)C1=CC=C(NCC2=NC3=C(C=C2)N=C(N)N=C3N)C=C1
InChIKey
InChIKey=OSWHAJUIPNBZGO-UHFFFAOYSA-N
Formula
C16H16N6O
Mass
308.345
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
Pyridopyrimidines Acetophenones 2-pyridylmethylamines Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Phenylalkylamines Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Pyridopyrimidine - Acetophenone - 2-pyridylmethylamine - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Aryl alkyl ketone - Aminopyrimidine - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Secondary amine - Organic nitrogen compound - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen 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