Compound Identification
SMILES
CC1CNCCN1S(=O)(=O)C1=CC=CC(=C1)C1=NC(NCCC2=CC(F)=CC=C2)=NC=C1
InChIKey
InChIKey=KJNRXIJCLVRZIP-UHFFFAOYSA-N
Formula
C23H26FN5O2S
Mass
455.55
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
Benzenesulfonamides Benzenesulfonyl compounds Fluorobenzenes Aminopyrimidines and derivatives Piperazines Organosulfonamides Aryl fluorides Sulfonyls Heteroaromatic compounds Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Benzenesulfonamide - Benzenesulfonyl group - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - 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