Compound Identification
SMILES
CCC(CC)C1(CC(Br)=C)C(=O)NC(=O)NC1=O
InChIKey
InChIKey=ICBPTPKCMPQQIT-UHFFFAOYSA-N
Formula
C12H17BrN2O3
Mass
317.183
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
-
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
N-acyl ureas Diazinanes Dicarboximides Vinyl bromides Bromoalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Barbiturate - N-acyl urea - Ureide - 1,3-diazinane - Dicarboximide - Carbonic acid derivative - Urea - Haloalkene - Vinyl halide - Vinyl bromide - Azacycle - Bromoalkene - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic 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