Compound Identification
SMILES
CN1C(N)=C(C(=O)COC(=O)CC(NC(N)=O)c2ccc(Cl)cc2)C(=O)N(C)C1=O
InChIKey
InChIKey=DTKYQIRJUJMUHO-UHFFFAOYSA-N
Formula
C18H20ClN5O6
Mass
437.84
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 Aryl alkyl ketones
-
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
Direct Parent
Aryl alkyl ketones
Alternative Parents
Pyrimidones Alpha-acyloxy ketones Aminopyrimidines and derivatives Fatty acid esters Chlorobenzenes Hydropyrimidines Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Amino acids and derivatives Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl alkyl ketone - Aminopyrimidine - Chlorobenzene - Alpha-acyloxy ketone - Fatty acid ester - Pyrimidone - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Pyrimidine - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Urea - Lactam - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
Not available