Compound Identification
SMILES
CCOC(=O)C1=CN=C(NCCNC2=NC=C(C=C2)[N+]([O-])=O)N=C1C1=CC=CC=C1C1=CN=CN1
InChIKey
InChIKey=GNLUYXHTQSBRIF-UHFFFAOYSA-N
Formula
C23H22N8O4
Mass
474.481
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
Phenylimidazoles Pyrimidinecarboxylic acids Imidazolyl carboxylic acids and derivatives Nitroaromatic compounds Aminopyridines and derivatives Aminopyrimidines and derivatives Benzene and substituted derivatives Imidolactams Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Amines Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - 5-phenylimidazole - 4-phenylimidazole - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Nitroaromatic compound - Imidazolyl carboxylic acid derivative - Aminopyridine - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Organic oxygen compound - Organic zwitterion - Aromatic heteromonocyclic 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