Compound Identification
SMILES
CC1=CC=C(C=C1)C1=C(O)C(NC2=CC=CC(=C2)C#N)=NC=N1
InChIKey
InChIKey=QRNSWXQJLICAKS-UHFFFAOYSA-N
Formula
C18H14N4O
Mass
302.337
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Benzonitriles Aniline and substituted anilines Toluenes Hydroxypyrimidines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Benzonitrile - Aniline or substituted anilines - Aminopyrimidine - Hydroxypyrimidine - Toluene - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Secondary amine - Nitrile - Carbonitrile - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - 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