Compound Identification
SMILES
Cl.COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1C(=O)CS(C)(=O)=O
InChIKey
InChIKey=ODPWYMWPLDBGCJ-UHFFFAOYSA-N
Formula
C16H21ClN4O5S
Mass
416.88
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
Dimethoxybenzenes Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Sulfones Heteroaromatic compounds Azacyclic compounds Primary amines Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aryl alkyl ketone - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Sulfonyl - Sulfone - Heteroaromatic compound - Azacycle - Ether - Organoheterocyclic compound - Amine - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrochloride - 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