Compound Identification
SMILES
CC(=O)NC1=NC2=C(OC3=NC(CCN4CCCCC4)=NC(=C3)C3=CC=C(C=C3)C(F)(F)F)C=CC=C2S1
InChIKey
InChIKey=JSESWYNUNHGTKC-UHFFFAOYSA-N
Formula
C27H26F3N5O2S
Mass
541.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
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 N-acetylarylamines Benzothiazoles Phenol ethers Aralkylamines Piperidines Thiazoles Acetamides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organofluorides Hydrocarbon derivatives Organic oxides Alkyl fluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Diaryl ether - Trifluoromethylbenzene - 1,3-benzothiazole - N-acetylarylamine - Phenol ether - N-arylamide - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Acetamide - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Alkyl halide - Organohalogen compound - Organic oxide - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Organooxygen compound - Amine - Hydrocarbon derivative - 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