Compound Identification
SMILES
CC1=CC(OCCN2C=CC=C2C=C2C(=O)NC(=O)N(C2=O)C2=CC(Cl)=C(C)C=C2)=CC(C)=C1
InChIKey
InChIKey=VQWMWLCQUUPPEL-UHFFFAOYSA-N
Formula
C26H24ClN3O4
Mass
477.95
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
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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
m-Xylenes Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes N-acyl ureas Toluenes Diazinanes Aryl chlorides Substituted pyrroles Heteroaromatic compounds Dicarboximides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Phenol ether - Phenoxy compound - Xylene - M-xylene - Alkyl aryl ether - N-acyl urea - Toluene - Halobenzene - Ureide - Chlorobenzene - Benzenoid - 1,3-diazinane - Substituted pyrrole - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Heteroaromatic compound - Dicarboximide - Pyrrole - Carbonic acid derivative - Urea - Ether - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen 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