Structure Information
Structure

Compound Identification

SMILES

Cl.CC1=C(CCOOCCC2=C(C)[N+](CC3=CN=C(C)N=C3N)=CS2)SC=[N+]1CC1=CN=C(C)N=C1N

InChIKey

InChIKey=DRQCKTRVETZKGS-UHFFFAOYSA-N

Formula

C24H33ClN8O2S2

Mass

565.15

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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 - 4,5-disubstituted 1,3-thiazole - Aminopyrimidine - Imidolactam - Azole - Thiazole - Heteroaromatic compound - Dialkyl peroxide - Azacycle - Organic oxygen compound - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrochloride - 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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