Structure Information
Structure

Compound Identification

SMILES

CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1NS(=O)(=O)C1=CC=CC=C1[N+]([O-])=O

InChIKey

InChIKey=FYWYKZAKCVUCLR-UHFFFAOYSA-N

Formula

C18H20N5O5S2

Mass

450.51

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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 - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - 4,5-disubstituted 1,3-thiazole - Organosulfonic acid amide - Benzenoid - Imidolactam - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Azole - Sulfonyl - Thiazole - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - 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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