Compound Identification
SMILES
CC1=C(C)C(=CC=C1)N1C(=O)NC(=O)C(=CC2=CC(Br)=C(Br)O2)C1=O
InChIKey
InChIKey=VFQQQKFKVWHFNC-UHFFFAOYSA-N
Formula
C17H12Br2N2O4
Mass
468.101
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
-
Subclass
Pyrimidines and pyrimidine derivatives
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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 N-acyl ureas Diazinanes Aryl bromides Heteroaromatic compounds Furans Dicarboximides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - O-xylene - Xylene - N-acyl urea - Ureide - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Dicarboximide - Furan - Heteroaromatic compound - Carbonic acid derivative - Urea - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen 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