Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=GFOZNKHLFXWLSX-UHFFFAOYSA-N

Formula

C14H23ClN4O8P2S

Mass

504.82

Export to:

JSON SDF CSV

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 - Organic pyrophosphate - Monoalkyl phosphate - Aminopyrimidine - 4,5-disubstituted 1,3-thiazole - Imidolactam - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Heteroaromatic compound - Thiazole - Azole - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - 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

Previous Back Next