Compound Identification
SMILES
CC1=C(Cl)C=CC(OCCN2C=CC=C2C=C2C(=O)NC(=O)N(CC3=CC=CO3)C2=O)=C1
InChIKey
InChIKey=OASJTEHBCRGNHB-UHFFFAOYSA-N
Formula
C23H20ClN3O5
Mass
453.88
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
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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
Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Chlorobenzenes N-acyl ureas Substituted pyrroles Aryl chlorides Diazinanes Heteroaromatic compounds Furans Dicarboximides Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Phenol ether - Phenoxy compound - N-acyl urea - Halobenzene - Alkyl aryl ether - Toluene - Ureide - Chlorobenzene - Benzenoid - Substituted pyrrole - 1,3-diazinane - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Dicarboximide - Furan - Pyrrole - Heteroaromatic compound - Urea - Carbonic acid derivative - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen 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