Structure Information
Structure

Compound Identification

SMILES

OS(=O)S(O)=O.C[C@@H](C1=NC=NC=C1F)[C@](O)(CN1NCN=C1)C1=C(C=C(F)C=C1)C1=NC=NC=C1F

InChIKey

InChIKey=RRJBUUJOSBNJCU-XVHUJMMASA-N

Formula

C20H20F3N7O5S2

Mass

559.54

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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 heteromonocyclic compounds

Substituents

4-phenylpyrimidine - Phenylpropane - Fluorobenzene - Halobenzene - Halopyrimidine - Organic dithionite - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Triazoline - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid amidrazone - Amidine - Formamidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alcohol - Imine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - 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

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