Compound Identification
SMILES
CCOC(=O)C1=C2N=C(C=C(N2C=N1)C(F)(F)F)C1=CC=C(F)C=C1
InChIKey
InChIKey=NQXACKRHMCGBQY-UHFFFAOYSA-N
Formula
C16H11F4N3O2
Mass
353.277
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Fluorobenzenes Carbonylimidazoles N-substituted imidazoles Aryl fluorides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Imidazole-4-carbonyl group - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Alkyl fluoride - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Organofluoride - Organonitrogen 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