Compound Identification
SMILES
OC(=O)C(F)(F)F.CN1CCN=C1C1=CC(OC2=NC(=CC(OC3=CC(C=CC3=O)=C(N)N)=N2)C2=CC=CC=C2)=CC=C1
InChIKey
InChIKey=LDDJHZLGWAHGGC-UHFFFAOYSA-N
Formula
C29H25F3N6O5
Mass
594.551
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 Phenoxy compounds Phenol ethers P-quinomethanes Imidolactams Alpha-halocarboxylic acids Heteroaromatic compounds Imidazolines Ketene acetals Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Amines Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Not available
Substituents
4-phenylpyrimidine - Diaryl ether - Phenoxy compound - P-quinomethane - Quinomethane - Phenol ether - Monocyclic benzene moiety - Imidolactam - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - 2-imidazoline - Ketene acetal or derivatives - Ketone - Cyclic ketone - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboximidamide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Amine - Organic oxide - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - 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