Compound Identification
SMILES
CC1=CC(NC(=O)NC2=CC=C(C=C2)C2=C(N)N3N=C(C=C3N=C2)C2=CC=CC=C2)=CC=C1
InChIKey
InChIKey=NAGJDAKQFFTGOJ-UHFFFAOYSA-N
Formula
C26H22N6O
Mass
434.503
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
Phenylpyrazoles N-phenylureas Pyrazolo[1,5-a]pyrimidines Toluenes Aminopyrimidines and derivatives Heteroaromatic compounds Ureas Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Phenylpyrazole - N-phenylurea - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Aminopyrimidine - Toluene - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Urea - Azacycle - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - 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