Compound Identification
SMILES
COC1=CC=CC(\C=C\C2=C(C(=O)N3C=CSC3=N2)C2=CC=C(OC(F)(F)F)C=C2)=C1OCCCC#N
InChIKey
InChIKey=DGKCRYUHILLZOK-FMIVXFBMSA-N
Formula
C26H20F3N3O4S
Mass
527.52
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
Anisoles Styrenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyrimidones Thiazoles Heteroaromatic compounds Lactams Trihalomethanes Azacyclic compounds Nitriles Organofluorides Hydrocarbon derivatives Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Lactam - Trihalomethane - Azacycle - Ether - Carbonitrile - Nitrile - Halomethane - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alkyl fluoride - Organic oxide - Cyanide - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - 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