Compound Identification
SMILES
COC1=C(Cl)C=C(C=C1)N1C(=O)NC(=O)C(=CC2=CC=CN2CC2=CC=CC=C2F)C1=O
InChIKey
InChIKey=HWHYGQIJKOFOHO-UHFFFAOYSA-N
Formula
C23H17ClFN3O4
Mass
453.85
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
Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers N-acyl ureas Chlorobenzenes Fluorobenzenes Substituted pyrroles Aryl chlorides Aryl fluorides Diazinanes Heteroaromatic compounds Dicarboximides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Methoxyaniline - Barbiturate - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Halobenzene - N-acyl urea - Fluorobenzene - Chlorobenzene - Alkyl aryl ether - Ureide - Substituted pyrrole - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Aryl chloride - Aryl fluoride - Aryl halide - Pyrrole - Dicarboximide - Heteroaromatic compound - Urea - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Ether - Organofluoride - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - 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