Compound Identification
SMILES
CC1=CC=C(NC(=O)C(=NNC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C2C(=O)NC(=O)NC2=O)C=C1
InChIKey
InChIKey=VSJZNBQOTJKDQU-UHFFFAOYSA-N
Formula
C19H15N7O8
Mass
469.37
Taxonomic Classification
Taxonomy Tree
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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
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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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
Nitrobenzenes Anilides Phenylhydrazines Nitroaromatic compounds N-arylamides Toluenes N-acyl ureas Diazinanes 1,3-dicarbonyl compounds Dicarboximides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Anilide - Nitrobenzene - Barbiturate - Nitroaromatic compound - N-arylamide - Phenylhydrazine - Ureide - Toluene - N-acyl urea - Benzenoid - 1,3-dicarbonyl compound - 1,3-diazinane - Monocyclic benzene moiety - Dicarboximide - Organic nitro compound - Urea - Secondary carboxylic acid amide - Carbonic acid derivative - C-nitro compound - Carboxamide group - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrazone - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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