Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=CC2=NC=CN2C(NC2=C(Cl)C=C(Br)C=C2)=N1
InChIKey
InChIKey=SYYGWMKPAIWXIO-UHFFFAOYSA-N
Formula
C20H16BrClN4O2
Mass
459.73
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 Imidazopyrimidines Phenoxy compounds Aniline and substituted anilines Anisoles Alkyl aryl ethers Aminopyrimidines and derivatives Bromobenzenes Chlorobenzenes N-substituted imidazoles Aryl bromides Aryl chlorides Heteroaromatic compounds Secondary amines Azacyclic compounds Organobromides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - O-dimethoxybenzene - Dimethoxybenzene - Imidazopyrimidine - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Imidazole - Heteroaromatic compound - Azole - Secondary amine - Ether - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - 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