Compound Identification
SMILES
FC(F)(F)C1=CC=C(C=C1)C1=CC2=NC=NN2C(NCCNC2=NC=C(C=C2)C#N)=N1
InChIKey
InChIKey=YSMLILWKLVBOJY-UHFFFAOYSA-N
Formula
C20H15F3N8
Mass
424.391
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
Trifluoromethylbenzenes Triazolopyrimidines 3-pyridinecarbonitriles Secondary alkylarylamines Aminopyrimidines and derivatives Aminopyridines and derivatives Imidolactams Triazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Trifluoromethylbenzene - Triazolopyrimidine - 3-pyridinecarbonitrile - Aminopyridine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Triazole - Heteroaromatic compound - 1,2,4-triazole - Azole - Secondary amine - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organofluoride - Alkyl fluoride - Organonitrogen compound - Cyanide - Hydrocarbon derivative - Alkyl halide - 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