Structure Information
Structure

Compound Identification

SMILES

[Cl-].OC(=O)CCCCC1CCSS1.CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N

InChIKey

InChIKey=HSJGEKWSSDIAMK-UHFFFAOYSA-M

Formula

C20H31ClN4O3S3

Mass

507.12

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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

Not available

Substituents

Thiamine - Lipoic_acid_derivative - Medium-chain fatty acid - 4,5-disubstituted 1,3-thiazole - Aminopyrimidine - Heterocyclic fatty acid - Thia fatty acid - Fatty acyl - Fatty acid - Imidolactam - Azole - Dithiolane - Heteroaromatic compound - 1,2-dithiolane - Thiazole - Organic disulfide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic chloride salt - Amine - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Primary alcohol - Primary amine - 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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