Compound Identification
SMILES
C[C@H](NC1=NC(=NC(=C1)C1=CC=C(C=C1)C#N)N1C=NC2=C1C=NC=C2)C1=CC=CC=C1
InChIKey
InChIKey=JMSLZSBXJWSFBI-KRWDZBQOSA-N
Formula
C25H19N7
Mass
417.476
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
Imidazo-[4,5-c]pyridines Benzonitriles Secondary alkylarylamines Aminopyrimidines and derivatives Pyridines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Imidazopyridine - Imidazo-[4,5-c]pyridine - Benzonitrile - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Nitrile - Carbonitrile - Azacycle - Secondary amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - 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