Compound Identification
SMILES
OC(=O)CCC(=O)C1=CN(C2=C1C=CC(F)=C2)C1=NC2=C(C=C(Cl)C=C2)C(=N1)C1=CC=CC=C1
InChIKey
InChIKey=IXIRNSYIJPNCQM-UHFFFAOYSA-N
Formula
C26H17ClFN3O3
Mass
473.89
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
Quinazolinamines Indoles Aryl alkyl ketones Gamma-keto acids and derivatives Aryl chlorides Aryl fluorides Benzene and substituted derivatives Substituted pyrroles Heteroaromatic compounds Vinylogous amides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Quinazolinamine - Quinazoline - Indole - Indole or derivatives - Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Aryl chloride - Benzenoid - Substituted pyrrole - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Keto acid - Heteroaromatic compound - Vinylogous amide - Pyrrole - Ketone - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organofluoride - Organochloride - Organooxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available