Compound Identification
SMILES
COC1=CC2=C(NC=C2C2CCN(CCCCN3C(=O)N4C=CC=CC4=C(C3=O)C3=CC=C(Cl)C=C3)CC2)C=C1
InChIKey
InChIKey=YIEWASOTLYJHPP-UHFFFAOYSA-N
Formula
C32H33ClN4O3
Mass
557.09
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
Pyridopyrimidines 3-alkylindoles Anisoles Pyrimidones Alkyl aryl ethers Chlorobenzenes Aralkylamines Substituted pyrroles Pyridines and derivatives Piperidines Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Trialkylamines Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Pyridopyrimidine - 3-alkylindole - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Tertiary amine - Urea - Lactam - Tertiary aliphatic amine - Azacycle - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - Organic oxide - Organohalogen compound - 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