Compound Identification
SMILES
COC1=CC2=NC=CC(OC3=C(F)C=C(C=C3)C3=CN=C(C4CCCC4)N(C)C3=O)=C2C=C1OC
InChIKey
InChIKey=YVXPEAVBPWBAOO-UHFFFAOYSA-N
Formula
C27H26FN3O4
Mass
475.52
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
Diarylethers Quinolines and derivatives Phenoxy compounds Anisoles Pyrimidones Alkyl aryl ethers Fluorobenzenes Pyridines and derivatives Aryl fluorides Hydropyrimidines Heteroaromatic compounds Lactams Azacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Diaryl ether - Quinoline - Phenoxy compound - Phenol ether - Anisole - Pyrimidone - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Hydropyrimidine - Heteroaromatic compound - Lactam - Azacycle - Ether - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - 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