Compound Identification
SMILES
CN(CCO)CCOC(=O)N(C1=CC=C(C=C1)C(F)(F)F)C1=NC=CC(=N1)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=RJGBMEDATGRCEA-UHFFFAOYSA-N
Formula
C23H22ClF3N4O3
Mass
494.9
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
Phenylcarbamic acid esters Trifluoromethylbenzenes Chlorobenzenes Aryl chlorides Carbamate esters Heteroaromatic compounds 1,2-aminoalcohols Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides Primary alcohols Carbonyl compounds Organochlorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Phenylcarbamic acid ester - Trifluoromethylbenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbamic acid ester - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Azacycle - Organofluoride - Organochloride - Organohalogen compound - Primary alcohol - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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