Compound Identification
SMILES
CC(=O)C1=CC=C(C=C1)C(=O)NCC#CC1=CN(C2CC(O)C(OOP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N=C1N
InChIKey
InChIKey=KSPKKGUOXKIXQP-UHFFFAOYSA-N
Formula
C20H23N4O16P3
Mass
668.337
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
Acetophenones Benzamides Aryl alkyl ketones Benzoyl derivatives Pyrimidones Aminopyrimidines and derivatives Organic phosphoric acids and derivatives Imidolactams Hydropyrimidines Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Benzamide - Benzoic acid or derivatives - Benzoyl - Aryl alkyl ketone - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Organic phosphoric acid derivative - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Imidolactam - Heteroaromatic compound - Oxolane - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Amine - Primary amine - Organonitrogen compound - Organic oxide - 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