Compound Identification
SMILES
CCCCC1=NC(C)=C(C(=O)N1CC1=CC=C(OC(C(O)=O)C2=CC=CC=C2)C=C1)C1=CC=CC=C1C(F)(F)F
InChIKey
InChIKey=WJFBYDJGAFHZGY-UHFFFAOYSA-N
Formula
C31H29F3N2O4
Mass
550.578
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
Phenoxyacetic acid derivatives Trifluoromethylbenzenes Phenoxy compounds Phenol ethers Pyrimidones Alkyl aryl ethers Hydropyrimidines Heteroaromatic compounds Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organofluorides Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Phenoxyacetate - Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Lactam - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic 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