Structure Information
Structure

Compound Identification

SMILES

CCS([O-])(=O)=O.CN1CN(CSCCO)C2=C1C(=O)[NH+](C)C(N)=N2

InChIKey

InChIKey=BQDTZWVVZWNLAY-UHFFFAOYSA-N

Formula

C12H23N5O5S2

Mass

381.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazopyrimidines

Subclass

Purines and purine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Purinones

Alternative Parents

Molecular Framework

Not available

Substituents

Alpha-amino acid or derivatives - Purinone - Hydropyrimidine - 1,6-dihydropyrimidine - 4-imidazoline - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Vinylogous amide - Guanidine - Secondary carboxylic acid amide - Carboximidamide - Hemithioaminal - Thioether - Carboxylic acid derivative - Azacycle - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Enamine - Sulfenyl compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Organic oxygen compound - Organosulfur compound - Primary alcohol - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.

External Descriptors

Not available

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