Structure Information
Structure

Compound Identification

SMILES

[Cl-].CCCCOCCC1=C(C)[N+](CC2=CN=C(C)N=C2N)=C(CCCC)S1

InChIKey

InChIKey=YFLNNAUYQUMXIN-UHFFFAOYSA-M

Formula

C20H33ClN4OS

Mass

413.02

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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

Thiamines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Thiamine - 2,4,5-trisubstituted 1,3-thiazole - Aminopyrimidine - Imidolactam - Azole - Heteroaromatic compound - Thiazole - Dialkyl ether - Ether - Azacycle - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as thiamines. These are compounds containing a thiamine moiety, which is structurally characterized by a 3-[(4-Amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-5-yl backbone.

External Descriptors

Not available

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