Structure Information
Structure

Compound Identification

SMILES

CC1=C(CCOC(=O)CBr)SC=[N+]1CC1=CN=C(C)N=C1N

InChIKey

InChIKey=DGCOUKMXDGTATP-UHFFFAOYSA-N

Formula

C14H18BrN4O2S

Mass

386.29

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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 - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Thiazole - Azole - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alkyl bromide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Alkyl halide - 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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