Compound Identification
SMILES
CCCCC1=NC(C2=CC=CC=C2)=C(C(=O)OCC)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C(=O)OC(C)(C)C
InChIKey
InChIKey=QOWSPFKDLQNIMM-UHFFFAOYSA-N
Formula
C35H38N2O5
Mass
566.698
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
Biphenyls and derivatives Benzoic acid esters Pyrimidinecarboxylic acids Hydropyrimidine carboxylic acids and derivatives Benzoyl derivatives Pyrimidones Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenyl - 4-phenylpyrimidine - Benzoate ester - Benzoic acid or derivatives - Pyrimidine-5-carboxylic acid or derivatives - Pyrimidine-5-carboxylic acid - Hydropyrimidine carboxylic acid derivative - Benzoyl - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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