Compound Identification
SMILES
N[C@@H](CN1C(=O)N2C(COC2=C(C1=O)C1=CC=CC=C1F)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=UJAOMETUOCOAHK-HMTLIYDFSA-N
Formula
C26H22FN3O3
Mass
443.478
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Alkyl aryl ethers Aralkylamines Fluorobenzenes Pyrimidones Aryl fluorides Heteroaromatic compounds Vinylogous amides Vinylogous esters Lactams Ureas Oxacyclic compounds Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Aryl halide - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Urea - Lactam - Azacycle - Oxacycle - Ether - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Primary amine - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen 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