Structure Information
Structure

Compound Identification

SMILES

CN1CCSC(C1)C1=CC=C(NC2=NC=C3C=C(C#CC4CCN(CC4)S(C)(=O)=O)C(=O)N(CC4=NC=CN=C4Cl)C3=N2)C=C1

InChIKey

InChIKey=AFEXPXJUGGBSBN-UHFFFAOYSA-N

Formula

C31H33ClN8O3S2

Mass

665.23

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thiazinanes

Subclass

Thiomorpholines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylthiomorpholines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenylthiomorpholine - Pyridopyrimidine - Pyrido[2,3-d]pyrimidine - Aniline or substituted anilines - Aminopyrimidine - Pyridinone - Aralkylamine - Pyridine - Pyrazine - Monocyclic benzene moiety - Benzenoid - Aryl halide - Piperidine - Aryl chloride - Pyrimidine - Organosulfonic acid amide - Organic sulfonic acid amide - Heteroaromatic compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Dialkylthioether - Thioether - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylthiomorpholines. These are compounds containing a thiomorpholine ring conjugated to a phenyl group. Thiomorpholine a six-membered aliphatic ring containing one nitrogen atom and one sulfur atom at positions 1 and 4 respectively, and four carbon atoms.

External Descriptors

Not available

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