Structure Information
Structure

Compound Identification

SMILES

CC1=C(CCOC(=O)CC2C3CC4CC(C3)CC2C4)SC=[N+]1CC1=C[NH+]=C(C)N=C1N

InChIKey

InChIKey=MQISBZBPJSWDOS-UHFFFAOYSA-O

Formula

C24H34N4O2S

Mass

442.62

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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 - Thiazole - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Amine - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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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