Structure Information
Structure

Compound Identification

SMILES

CC1=C(CCOC2=CC=CC=C2C(N)=O)SC=[N+]1CC1=CN=C(C)N=C1N

InChIKey

InChIKey=VWTHTMOJKZJHEB-UHFFFAOYSA-O

Formula

C19H22N5O2S

Mass

384.48

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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 - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - 4,5-disubstituted 1,3-thiazole - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Primary amine - Amine - 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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