Structure Information
Structure

Compound Identification

SMILES

[Cl-].[Cl-].CC1=C(CCOC(=O)C2C3CC4CC(C3)CC2C4)SC=[N+]1CC1=C[NH+]=C(C)N=C1N

InChIKey

InChIKey=VGKWEOYWLHOLOI-UHFFFAOYSA-M

Formula

C23H32Cl2N4O2S

Mass

499.5

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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 heteropolycyclic compounds

Substituents

Thiamine - 4,5-disubstituted 1,3-thiazole - Aminopyrimidine - Imidolactam - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organic salt - Organic chloride salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic 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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