Compound Identification
SMILES
Cl.CCC1(C(=O)NC(=O)N(CC(=O)CCN2CCCCC2)C1=O)C1=CC=CC=C1
InChIKey
InChIKey=GWLZXHMUQLVFHI-UHFFFAOYSA-N
Formula
C21H28ClN3O4
Mass
421.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Level 5
Pyrimidones
- Level 6 Barbituric acid derivatives
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Level 5
Pyrimidones
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Pyrimidones
Direct Parent
Barbituric acid derivatives
Alternative Parents
N-acyl ureas Piperidines Diazinanes Beta-amino ketones Benzene and substituted derivatives Dicarboximides Trialkylamines Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - N-acyl urea - Ureide - Piperidine - Monocyclic benzene moiety - Benzenoid - 1,3-diazinane - Beta-aminoketone - Dicarboximide - Carbonic acid derivative - Urea - Tertiary aliphatic amine - Tertiary amine - Ketone - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
External Descriptors
Not available