Compound Identification
SMILES
N[C@H]1CCCN(C1)C1=C(F)C=C(C=C1)C1=NC=NC2=C1N=C(\C=C1\CNCS1)C=C2
InChIKey
InChIKey=SGBGXTRVOJUVQC-MBBOSUJBSA-N
Formula
C22H23FN6S
Mass
422.53
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
Phenylpiperidines Pyridopyrimidines Aniline and substituted anilines Dialkylarylamines Fluorobenzenes Aminopiperidines Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Thiazolidines Thioenol ethers Thiohemiaminal derivatives Azacyclic compounds Organofluorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpiperidine - 4-phenylpyrimidine - Pyridopyrimidine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Halobenzene - 3-aminopiperidine - Fluorobenzene - Aryl halide - Pyridine - Aryl fluoride - Piperidine - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Heteroaromatic compound - Tertiary amine - Thioenolether - Azacycle - Hemithioaminal - Primary aliphatic amine - Organonitrogen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organofluoride - 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