Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NC2=C(C=NN2C(=C1)C(F)F)C(=O)NCC1=C[NH+]=CC=C1
InChIKey
InChIKey=GTRKCTHSMFKRJT-UHFFFAOYSA-O
Formula
C21H18F2N5O2
Mass
410.404
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
Pyrazolo[1,5-a]pyrimidines Anisoles Pyrazole-4-carboxamides Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyridinium derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Phenoxy compound - Phenol ether - Methoxybenzene - Pyrazole-4-carboxamide - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyridine - Pyridinium - Vinylogous amide - Pyrazole - Heteroaromatic compound - Azole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic cation - 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