Compound Identification
SMILES
OC(=O)C(F)(F)F.CN(C)CC(=O)NC1=NC2=C(OC3=NC=NC(=C3)C3=CC=C(C=C3)C(F)(F)F)C=CC=C2S1
InChIKey
InChIKey=NIUYRVYPBARMPF-UHFFFAOYSA-N
Formula
C24H19F6N5O4S
Mass
587.5
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
Alpha amino acid amides Diarylethers Trifluoromethylbenzenes Benzothiazoles Phenol ethers N-arylamides Thiazoles Alpha-halocarboxylic acids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Alpha-amino acid amide - 4-phenylpyrimidine - Diaryl ether - Alpha-amino acid or derivatives - Trifluoromethylbenzene - 1,3-benzothiazole - N-arylamide - Phenol ether - Benzenoid - Monocyclic benzene moiety - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Azole - Thiazole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Carbonyl group - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Alkyl fluoride - Amine - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic 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