Compound Identification
SMILES
COC1=CC=C\C(=C/NNC2=NC(=CC(=N2)C2=CC=C(C)C=C2)C2=CC=CC=C2)C1=O
InChIKey
InChIKey=ZQADFCLBYHHQPT-CAPFRKAQSA-N
Formula
C25H22N4O2
Mass
410.477
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
O-quinomethanes Toluenes Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - O-quinomethane - Quinomethane - Toluene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Ketone - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrazine derivative - Carbonyl group - 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