Compound Identification
SMILES
CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1C(C)C)-c1ccc(F)cc1
InChIKey
InChIKey=UWSFDWYFZIVLSP-BKUYFWCQSA-N
Formula
C27H25FN2O7
Mass
508.502
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
Pyrimidinecarboxylic acids Aryl ketones Benzoyl derivatives Pyrimidones Fluorobenzenes Aryl fluorides Hydropyrimidines Dicarboxylic acids and derivatives Vinylogous amides Vinylogous acids Acryloyl compounds Heteroaromatic compounds Enones Carboxylic acid esters Carboxylic acids Azacyclic compounds Enols Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - 5-phenylpyrimidine - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Benzoyl - Aryl ketone - Halobenzene - Fluorobenzene - Pyrimidone - Hydropyrimidine - Aryl fluoride - Dicarboxylic acid or derivatives - Aryl halide - Monocyclic benzene moiety - Benzenoid - Enone - Heteroaromatic compound - Vinylogous amide - Acryloyl-group - Vinylogous acid - Alpha,beta-unsaturated ketone - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Carboxylic acid - Enol - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organohalogen 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