Compound Identification
SMILES
COC1=CC(=C(OC)C=C1)C1=NC(N)=NC(=C1)C1=CC=C(NC2=C3C=CC(Cl)=CC3=NC=C2)C=C1
InChIKey
InChIKey=UCCXZIOMUCXHOM-UHFFFAOYSA-N
Formula
C27H22ClN5O2
Mass
483.96
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
4-aminoquinolines Chloroquinolines Dimethoxybenzenes Aniline and substituted anilines Anisoles Phenoxy compounds Aminopyridines and derivatives Alkyl aryl ethers Aminopyrimidines and derivatives Primary aromatic amines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Secondary amines Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - 4-aminoquinoline - Haloquinoline - Aminoquinoline - Chloroquinoline - P-dimethoxybenzene - Dimethoxybenzene - Quinoline - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aminopyridine - Aminopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Primary aromatic amine - Pyridine - Heteroaromatic compound - Ether - Secondary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - 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