Compound Identification
SMILES
CN1C=NC=C1C(O)(C1=CC2=C(C=C1)N=CC=C2)C1=CC2=C(C=C1)N1N=NN=C1N=C2C1=CC(Cl)=CC=C1
InChIKey
InChIKey=MUQOSAXVRCGILS-UHFFFAOYSA-N
Formula
C28H19ClN8O
Mass
518.97
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
Quinolines and derivatives Quinazolines Chlorobenzenes Pyridines and derivatives N-substituted imidazoles Aryl chlorides Tetrazoles Tertiary alcohols Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Quinoline - Quinazoline - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Pyridine - Azole - Heteroaromatic compound - Imidazole - Tetrazole - Tertiary alcohol - Azacycle - Organohalogen compound - Aromatic alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - 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