Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=NC(NNC(C)=C2C=CC=CC2=O)=NC(=C1)C1=CC=CC=C1
InChIKey
InChIKey=MZKODCBWTHJTNI-UHFFFAOYSA-N
Formula
C26H24N4O3
Mass
440.503
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
Dimethoxybenzenes Phenoxy compounds O-quinomethanes Anisoles Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Dimethoxybenzene - O-dimethoxybenzene - Anisole - O-quinomethane - Phenol ether - Quinomethane - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Ketone - Azacycle - Ether - Organic nitrogen compound - Hydrazine derivative - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen 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