Compound Identification
SMILES
COC1=CC(OC)=C(N2N=NC3=C(N=C(C)N=C23)C2=CC=CC=C2C)C(Cl)=C1
InChIKey
InChIKey=AAUREGCVECCKTE-UHFFFAOYSA-N
Formula
C20H18ClN5O2
Mass
395.85
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-1,2,3-triazoles Dimethoxybenzenes Triazolopyrimidines Methoxyanilines Phenoxy compounds Anisoles Toluenes Chlorobenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Phenyltriazole - Phenyl-1,2,3-triazole - M-dimethoxybenzene - Dimethoxybenzene - Triazolopyrimidine - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Triazole - Heteroaromatic compound - 1,2,3-triazole - Azole - Azacycle - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen 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