Compound Identification
SMILES
COC1=CC=C(CNC(=O)C2=NN3C(=C2)N=C(C=C3C)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=YGHBBNSBVRWBQL-UHFFFAOYSA-N
Formula
C22H20N4O2
Mass
372.428
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
Pyrimidinecarboxamides Pyrazolo[1,5-a]pyrimidines Pyrazole-5-carboxamides Phenoxy compounds Methoxybenzenes Anisoles 2-heteroaryl carboxamides Alkyl aryl ethers Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolopyrimidine - Pyrimidinecarboxamide - Pyrazolo[1,5-a]pyrimidine - Anisole - Phenol ether - 2-heteroaryl carboxamide - Phenoxy compound - Methoxybenzene - Pyrazole-5-carboxamide - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - 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