Compound Identification
SMILES
COCC1=NN2C(N=CC=C2C2=CC=C(C)C=C2)=C1C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=WAIBZTVKFAWSST-UHFFFAOYSA-N
Formula
C23H23N3O3
Mass
389.455
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 Toluenes Alkyl aryl ethers Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Phenylpyrazole - Dimethoxybenzene - O-dimethoxybenzene - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Pyrazole - Heteroaromatic compound - Azole - Azacycle - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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