Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCC1=CC=C(NC2=NC=C(Cl)C(=N2)C2=CC(F)=C(C=C2)C(C)(C)NC(=O)OCC=C)C=C1
InChIKey
InChIKey=GZZOJQINXGNOHB-UHFFFAOYSA-N
Formula
C32H32ClFN4O5S
Mass
639.14
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
p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Phenylpropanes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Aniline and substituted anilines Aminopyrimidines and derivatives Halopyrimidines Fluorobenzenes Organosulfonic acid esters Aryl chlorides Aryl fluorides Sulfonyls Heteroaromatic compounds Carbamate esters Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenylpropane - Aniline or substituted anilines - Aminopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Toluene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Carbamic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azacycle - Secondary amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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