Compound Identification
SMILES
C[C@H](NC1=NC(=CC(=N1)N1C=NC2=C1C=CC(=C2)C1=NC(N)=NC=C1)C1=CC=CC=C1C)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=GDXCZJMVZHZLFI-IBGZPJMESA-N
Formula
C30H25N9O2
Mass
543.591
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
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
Nitrobenzenes Benzimidazoles Nitroaromatic compounds Toluenes Aminopyrimidines and derivatives N-substituted imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Primary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Benzimidazole - Nitrobenzene - Nitroaromatic compound - Aminopyrimidine - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic zwitterion - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Primary amine - Organic salt - 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