Compound Identification
SMILES
BrC1=C(OCC2=CC=CC=C2C#N)C=CC(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)=C1
InChIKey
InChIKey=PINMLCRWBOOMLB-UHFFFAOYSA-N
Formula
C25H22BrN3O4
Mass
508.372
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Benzonitriles Alkyl aryl ethers N-acyl ureas Bromobenzenes Aryl bromides Diazinanes Dicarboximides Azacyclic compounds Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Phenol ether - Phenoxy compound - Benzonitrile - N-acyl urea - Halobenzene - Bromobenzene - Alkyl aryl ether - Ureide - 1,3-diazinane - Benzenoid - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Dicarboximide - Urea - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organic oxygen compound - Organohalogen compound - Organopnictogen compound - Organic oxide - 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