Compound Identification
SMILES
[Zn++].CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\C(O)CC(O)CC([O-])=O)N(C)S(C)(=O)=O
InChIKey
InChIKey=AUPPJPPIQVIVIK-RRABGKBLSA-M
Formula
C22H27FN3O6SZn
Mass
545.91
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
Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Fluorobenzenes Hydroxy fatty acids Unsaturated fatty acids Organosulfonamides Aryl fluorides Organic sulfonamides Aminosulfonyl compounds Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Azacyclic compounds Organic transition metal salts Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Halobenzene - Fluorobenzene - Beta-hydroxy acid - Hydroxy acid - Fatty acyl - Fatty acid - Organosulfonic acid amide - Benzenoid - Aryl halide - Unsaturated fatty acid - Monocyclic benzene moiety - Aryl fluoride - Organic sulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carboxylic acid salt - Secondary alcohol - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic transition metal salt - Organosulfur compound - Organic nitrogen compound - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Alcohol - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic cation - 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