Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=C2N=C(C=CN2N=C1)C1=CC=C(C=C1)N1C=CC(=O)C=C1
InChIKey
InChIKey=AAHBOKLYEIPDFJ-UHFFFAOYSA-N
Formula
C25H20N4O3
Mass
424.46
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 Dimethoxybenzenes Pyrazolo[1,5-a]pyrimidines Phenoxy compounds Anisoles Dihydropyridines Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Phenylpyrazole - O-dimethoxybenzene - Dimethoxybenzene - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Dihydropyridine - Monocyclic benzene moiety - Hydropyridine - Pyridine - Benzenoid - Pyrazole - Heteroaromatic compound - Vinylogous amide - Azole - Cyclic ketone - Azacycle - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - 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