Compound Identification
SMILES
CC(C)(N)C1=CC=C(C=C1)C1=NC(NC2=CC=C(C=C2)N2C=NC=N2)=NC=C1C#N
InChIKey
InChIKey=SOBVRDNZJVXJDE-UHFFFAOYSA-N
Formula
C22H20N8
Mass
396.458
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
Phenyl-1,2,4-triazoles Phenylpropanes Aniline and substituted anilines Aralkylamines Aminopyrimidines and derivatives Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Phenyltriazole - Phenyl-1,2,4-triazole - Phenylpropane - Aniline or substituted anilines - Aminopyrimidine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Primary amine - Hydrocarbon derivative - Cyanide - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Organic nitrogen compound - Amine - 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