Compound Identification
SMILES
CCOC1=C(OCC2=CC=C(O2)C(O)=O)C=CC(C=C2C(=O)NC(=O)N(C2=O)C2=CC=CC=C2F)=C1
InChIKey
InChIKey=PNRKQSQKPAONNY-UHFFFAOYSA-N
Formula
C25H19FN2O8
Mass
494.431
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
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
Phenoxy compounds Phenol ethers Furoic acids Heterocyclic fatty acids Halogenated fatty acids Fluorobenzenes Branched fatty acids Alkyl aryl ethers Unsaturated fatty acids N-acyl amines Diazinanes Heteroaromatic compounds Dicarboximides Organic carbonic acids and derivatives Vinyl fluorides Oxacyclic compounds Monocarboxylic acids and derivatives Fluoroalkenes Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Furoic acid or derivatives - Phenoxy compound - Phenol ether - Furoic acid - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Fluorobenzene - Branched fatty acid - Alkyl aryl ether - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - N-acyl-amine - 1,3-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Furan - Dicarboximide - Carbonic acid derivative - Oxacycle - Azacycle - Fluoroalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - 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