Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C1CC(=O)CC(C2=CC(=CC=C2)[N+]([O-])=O)C11C(=O)NC(=O)NC1=O
InChIKey
InChIKey=PVYAONFERXGVAO-UHFFFAOYSA-N
Formula
C21H16N4O8
Mass
452.379
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Nitrobenzenes Nitroaromatic compounds N-acyl ureas Diazinanes Dicarboximides Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Barbiturate - Nitrobenzene - Nitroaromatic compound - N-acyl urea - Ureide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Dicarboximide - Ketone - C-nitro compound - Carbonic acid derivative - Urea - Organic nitro compound - Cyclic ketone - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Aromatic heteropolycyclic 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