Compound Identification
SMILES
OCC(CO)(CO)N\C=C1\C(=O)NC(=O)N(C1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=XRLFJIBCUYSQAD-WZUFQYTHSA-N
Formula
C15H16BrN3O6
Mass
414.212
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
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
Bromobenzenes N-acyl ureas Aryl bromides Diazinanes Vinylogous amides Dicarboximides 1,2-aminoalcohols Amino acids and derivatives Allylamines Azacyclic compounds Dialkylamines Enamines Organic oxides Primary alcohols Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Bromobenzene - Halobenzene - N-acyl urea - Ureide - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Vinylogous amide - Dicarboximide - Urea - 1,2-aminoalcohol - Carbonic acid derivative - Amino acid or derivatives - Secondary amine - Azacycle - Allylamine - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organohalogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Organobromide - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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