Compound Identification
SMILES
FC1=CC=C(NC(=O)COC2=C(Cl)C=C(C=C3C(=O)NC(=O)N(CC4=CC=CO4)C3=O)C=C2)C=C1
InChIKey
InChIKey=VFRKVSTVIFXHSA-UHFFFAOYSA-N
Formula
C24H17ClFN3O6
Mass
497.86
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
-
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
Anilides N-arylamides Phenoxy compounds Phenol ethers Chlorobenzenes Fluorobenzenes N-acyl ureas Alkyl aryl ethers Aryl fluorides Aryl chlorides Diazinanes Dicarboximides Heteroaromatic compounds Furans Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Anilide - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - N-acyl urea - Ureide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - 1,3-diazinane - Aryl halide - Aryl fluoride - Heteroaromatic compound - Dicarboximide - Furan - Urea - Secondary carboxylic acid amide - Carboxamide group - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Ether - Oxacycle - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organopnictogen 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