Compound Identification
SMILES
CC(NC1=C(C=CC(=C1)C(F)(F)F)C1=CC(OC2=C3N=C(NC(C)=O)SC3=CC=C2)=NC=N1)C1=CC=CC=N1
InChIKey
InChIKey=QXLMKVMKRUKAFT-UHFFFAOYSA-N
Formula
C27H21F3N6O2S
Mass
550.56
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
Diarylethers Trifluoromethylbenzenes Benzothiazoles N-acetylarylamines Phenylalkylamines Phenol ethers Aniline and substituted anilines Secondary alkylarylamines Pyridines and derivatives Heteroaromatic compounds Thiazoles Acetamides Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Diaryl ether - Trifluoromethylbenzene - 1,3-benzothiazole - N-acetylarylamine - Phenol ether - N-arylamide - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Pyridine - Benzenoid - Thiazole - Heteroaromatic compound - Acetamide - Azole - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Carboxylic acid derivative - Ether - Alkyl halide - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Amine - 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