Compound Identification
SMILES
CC(NC1=[NH+]C(N)=NC(C)=C1C#N)C1=CC2=C(C(Cl)=CC=C2)C(=O)N1C1=CC=CC(=C1)C1=C(C2=CC=CC=C2)C(NC(C)C2=CC3=C(C(Cl)=CC=C3)C(=O)N2C2=CC=CC=C2)=[NH+]C(N)=N1
InChIKey
InChIKey=YLJYOMGCPSZPIM-UHFFFAOYSA-P
Formula
C50H41Cl2N11O2
Mass
898.85
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Isoquinolones and derivatives Secondary alkylarylamines Pyridinones Aminopyrimidines and derivatives Benzene and substituted derivatives Aryl chlorides Vinylogous halides Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - 4-phenylpyrimidine - Isoquinolone - Isoquinoline - Secondary aliphatic/aromatic amine - Pyridinone - Aminopyrimidine - Benzenoid - Pyridine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Lactam - Azacycle - Secondary amine - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic cation - 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