Compound Identification
SMILES
CCOC1=C(C=C(C=C2C(=O)NC(=O)N(C2=O)C2=CC=CC=C2Cl)C=C1)C(O)=O
InChIKey
InChIKey=NMDGZDKBQCFBGX-UHFFFAOYSA-N
Formula
C20H15ClN2O6
Mass
414.8
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
-
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
Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers N-acyl ureas Chlorobenzenes Aryl chlorides Diazinanes Dicarboximides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Barbiturate - Benzoic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - N-acyl urea - Halobenzene - Chlorobenzene - Alkyl aryl ether - Ureide - 1,3-diazinane - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Dicarboximide - Urea - Carbonic acid derivative - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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