Compound Identification
SMILES
CS(=N)(=O)CC1=CC(NC2=NC=C(F)C(=N2)C2=C(OCC3=CC=C(F)C=C3)C=C(F)C=C2)=CC=C1
InChIKey
InChIKey=ZVYXVPZGGHYOJL-UHFFFAOYSA-N
Formula
C25H21F3N4O2S
Mass
498.52
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
Phenoxy compounds Phenol ethers Aniline and substituted anilines Halopyrimidines Fluorobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Aryl fluorides Heteroaromatic compounds Carbo-azosulfones Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbo-azosulfone - Azacycle - Ether - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - 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