Compound Identification
SMILES
CN1CCN=C1C1=CC(OC2=NC(OC3=CC(C=CC3=O)=C(N)N)=NC(=C2)C2=CC=CC=C2)=CC=C1
InChIKey
InChIKey=XOUVFKQARCZKJX-UHFFFAOYSA-N
Formula
C27H24N6O3
Mass
480.528
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 Imidazolines Heteroaromatic compounds Ketene acetals Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Diaryl ether - Phenoxy compound - P-quinomethane - Phenol ether - Quinomethane - Monocyclic benzene moiety - Benzenoid - Imidolactam - 2-imidazoline - Heteroaromatic compound - Ketene acetal or derivatives - Cyclic ketone - Ketone - Azacycle - Organic 1,3-dipolar compound - Amidine - Carboxylic acid amidine - Ether - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carbonyl group - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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