Compound Identification
SMILES
CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\C1OC(=O)CC(O)C1(F)F)N(C)S(C)(=O)=O
InChIKey
InChIKey=GAMXAVGLVJWHJC-MDZDMXLPSA-N
Formula
C22H24F3N3O5S
Mass
499.51
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
Fluorobenzenes Delta valerolactones Oxanes Organosulfonamides Aryl fluorides Organic sulfonamides Aminosulfonyl compounds Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Fluorohydrins Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Delta valerolactone - Fluorobenzene - Halobenzene - Delta_valerolactone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxane - Organosulfonic acid amide - Organic sulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Secondary alcohol - Carboxylic acid ester - Fluorohydrin - Lactone - Halohydrin - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl fluoride - Alkyl halide - Organosulfur 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