Compound Identification
SMILES
COC1=CC=C(C=C1)C1CC(=O)C2=CN=C(NC3=NC4=C(C=C(Cl)C=C4)C(=N3)C3=CC=CC=C3)N=C2C1
InChIKey
InChIKey=YKTOOOHMNGJUQA-UHFFFAOYSA-N
Formula
C29H22ClN5O2
Mass
507.98
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
Quinazolinamines Phenoxy compounds Methoxybenzenes Aryl alkyl ketones Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Secondary amines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Quinazolinamine - Quinazoline - Anisole - Phenol ether - Phenoxy compound - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Ketone - Secondary amine - Azacycle - Ether - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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