Compound Identification
SMILES
CCOC(=O)COC1=CC=CC(=C1)C1=CC(NC(=O)C2=CC=C(C=C2)C(C)(C)O)=NC2=CC=NN12
InChIKey
InChIKey=CLORFLDAWGKUFT-UHFFFAOYSA-N
Formula
C26H26N4O5
Mass
474.517
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 Pyrazolo[1,5-a]pyrimidines Phenylpropanes Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Imidolactams Tertiary alcohols Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Aromatic alcohols Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Phenoxyacetate - Benzamide - Pyrazolo[1,5-a]pyrimidine - Benzoic acid or derivatives - Phenylpropane - Pyrazolopyrimidine - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrazole - Tertiary alcohol - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Organooxygen compound - Aromatic alcohol - 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