Compound Identification
SMILES
CC1=C(Cl)C=C(C=C1)N1C(=O)NC(=O)C(=CC2=CC=CN2CCOC2=CC=C(Br)C=C2)C1=O
InChIKey
InChIKey=HDGMTWYOWCTZRU-UHFFFAOYSA-N
Formula
C24H19BrClN3O4
Mass
528.79
Taxonomic Classification
Taxonomy Tree
-
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
Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Bromobenzenes N-acyl ureas Chlorobenzenes Substituted pyrroles Aryl bromides Aryl chlorides Diazinanes Heteroaromatic compounds Dicarboximides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Phenol ether - Phenoxy compound - N-acyl urea - Halobenzene - Chlorobenzene - Bromobenzene - Alkyl aryl ether - Toluene - Ureide - Substituted pyrrole - 1,3-diazinane - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Aryl chloride - Pyrrole - Dicarboximide - Heteroaromatic compound - Urea - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Ether - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organobromide - Organic oxygen compound - 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