Compound Identification
SMILES
CCOC1=C(OCCOC2=CC(C)=C(C)C=C2)C(Br)=CC(C=C2C(=O)N(C)C(=O)N(C)C2=O)=C1
InChIKey
InChIKey=PPOARCUJIGHHGL-UHFFFAOYSA-N
Formula
C25H27BrN2O6
Mass
531.403
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
o-Xylenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes N-acyl ureas Aryl bromides Diazinanes Dicarboximides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Phenol ether - Phenoxy compound - Xylene - O-xylene - Halobenzene - N-acyl urea - Bromobenzene - Alkyl aryl ether - Ureide - 1,3-diazinane - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Dicarboximide - Urea - Carbonic acid derivative - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen 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