Compound Identification
SMILES
CC1=C(Cl)C=C(C2=CC=C(O2)C=C2C(=O)NC(=O)NC2=O)C(=C1)[N+]([O-])=O
InChIKey
InChIKey=OQYMTBSRWWCGHC-UHFFFAOYSA-N
Formula
C16H10ClN3O6
Mass
375.72
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
Nitrobenzenes Nitrotoluenes Nitroaromatic compounds Chlorobenzenes N-acyl ureas Aryl chlorides Diazinanes Dicarboximides Furans Heteroaromatic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Ureide - Toluene - Chlorobenzene - N-acyl urea - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - 1,3-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Dicarboximide - Furan - Organic nitro compound - C-nitro compound - Carbonic acid derivative - Urea - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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