Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrimidines

Alternative Parents

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

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