Compound Identification
SMILES
COC1=CC=C(C=C1)C1=C2C(N)=C(C#N)C(N)=NC2=NC2=CC(=NN12)C1=CC=CC=C1
InChIKey
InChIKey=ZQAPBHCVJXJVMQ-UHFFFAOYSA-N
Formula
C23H17N7O
Mass
407.437
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 Pyrido[2,3-d]pyrimidines Pyrazolo[1,5-a]pyrimidines Phenoxy compounds Methoxybenzenes Anisoles Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Phenylpyrazole - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyridine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Nitrile - Carbonitrile - Ether - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Organic oxygen compound - Primary 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