Compound Identification
SMILES
CC1=C(Br)C=CC(=C1)N1C(=O)NC(=O)C(=CC2=CSC=C2)C1=O
InChIKey
InChIKey=IYVVHEZCJCJTAU-UHFFFAOYSA-N
Formula
C16H11BrN2O3S
Mass
391.24
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
Toluenes N-acyl ureas Bromobenzenes Diazinanes Aryl bromides Thiophenes Heteroaromatic compounds Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Bromobenzene - Ureide - Toluene - Halobenzene - N-acyl urea - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Heteroaromatic compound - Thiophene - Dicarboximide - Urea - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organobromide - Organohalogen 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