Compound Identification
SMILES
CC1=CC(Br)=C(C=C1C)N1C(=O)NC(=O)C(=CC2=CC=CS2)C1=O
InChIKey
InChIKey=XPYAVFVMFGJOCE-UHFFFAOYSA-N
Formula
C17H13BrN2O3S
Mass
405.27
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
-
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 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 - O-xylene - Xylene - N-acyl urea - Halobenzene - Ureide - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-diazinane - Dicarboximide - Thiophene - Heteroaromatic compound - 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