Structure Information
Structure

Compound Identification

SMILES

[Cl-].OP(O)(=O)[Cl-]P(O)(O)=O.CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N

InChIKey

InChIKey=VWLPWJZLMJBUGA-UHFFFAOYSA-M

Formula

C12H21Cl2N4O7P2S

Mass

498.23

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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 - Azole - Thiazole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic salt - Alcohol - Organic oxide - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic chloride salt - 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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