Structure Information
Structure

Compound Identification

SMILES

[Cl-].OC(=O)C1CCC(=O)N1.Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N

InChIKey

InChIKey=IXKSTYQVWKARBZ-UHFFFAOYSA-M

Formula

C17H24ClN5O4S

Mass

429.92

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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 - Proline or derivatives - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Oxoproline - Aminopyrimidine - 4,5-disubstituted 1,3-thiazole - Imidolactam - 2-pyrrolidone - Pyrrolidone - Heteroaromatic compound - Thiazole - Pyrrolidine - Azole - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic chloride salt - Organic salt - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - 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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