Structure Information
Structure

Compound Identification

SMILES

CC1=C(CCOC(=O)C2CC3CCC2C3)SC=[N+]1CC1=C[NH+]=C(C)N=C1N

InChIKey

InChIKey=CYBLJVGBDWMZJC-UHFFFAOYSA-O

Formula

C20H28N4O2S

Mass

388.53

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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 - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Norbornane monoterpenoid - 4,5-disubstituted 1,3-thiazole - Aminopyrimidine - Imidolactam - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid ester - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - 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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