Compound Identification
SMILES
CN1C(=O)C(C(=O)CCl)C(=O)N(C)C1=O
InChIKey
InChIKey=XJPIMTBNFVWMGZ-UHFFFAOYSA-N
Formula
C8H9ClN2O4
Mass
232.62
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 Diazinanes 1,3-dicarbonyl compounds Dicarboximides Alpha-chloroketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Barbiturate - Ureide - N-acyl urea - 1,3-diazinane - 1,3-dicarbonyl compound - Alpha-haloketone - Alpha-chloroketone - Dicarboximide - Ketone - Urea - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Alkyl chloride - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Aliphatic 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