Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CC(P(=O)=O)P(=O)=O)S1

InChIKey

InChIKey=OUIVTEOXIHDYMG-UHFFFAOYSA-N

Formula

C17H25N4O5P2S

Mass

459.42

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 - 2,4,5-trisubstituted 1,3-thiazole - Aminopyrimidine - Imidolactam - Azole - Thiazole - Heteroaromatic compound - Secondary alcohol - Azacycle - Aromatic alcohol - Alcohol - Organic oxide - Primary amine - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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

Previous Back Next