Compound Identification
SMILES
FC1=CC=C(N\C=C2/C(=O)NC(=O)N(CC3=CC=CC=C3Cl)C2=O)C=C1
InChIKey
InChIKey=OLESFQDNHFDXHZ-NTEUORMPSA-N
Formula
C18H13ClFN3O3
Mass
373.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Aniline and substituted anilines Secondary alkylarylamines N-acyl ureas Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Diazinanes Vinylogous amides Dicarboximides Amino acids and derivatives Allylamines Azacyclic compounds Enamines Organopnictogen compounds Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Aniline or substituted anilines - N-acyl urea - Halobenzene - Fluorobenzene - Secondary aliphatic/aromatic amine - Ureide - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - 1,3-diazinane - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Vinylogous amide - Amino acid or derivatives - Urea - Carbonic acid derivative - Allylamine - Carboxylic acid derivative - Azacycle - Secondary amine - Enamine - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organofluoride - 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