Structure Information
Structure

Compound Identification

SMILES

Cl.[Cl-].CC1=C(CCOC(=O)C2=CN=CC=C2)SC=[N+]1CC1=CN=C(C)N=C1N

InChIKey

InChIKey=HZBCZAVRFMDFMT-UHFFFAOYSA-M

Formula

C18H21Cl2N5O2S

Mass

442.36

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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 - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 4,5-disubstituted 1,3-thiazole - Aminopyrimidine - Pyridine - Imidolactam - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Organic salt - 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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