Structure Information
Structure

Compound Identification

SMILES

O=C1NC(=S)N(C2CC2)C(=O)\C1=C\NCCC[NH+]1CCCCC1

InChIKey

InChIKey=HFOVRVYHLHUHIY-ACCUITESSA-O

Formula

C16H25N4O2S

Mass

337.46

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Pyrimidones

Direct Parent

Thiobarbituric acid derivatives

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Thiobarbiturate - 1,3-diazinane - Piperidine - Quaternary ammonium salt - Vinylogous amide - Amino acid or derivatives - Tertiary amine - Thiourea - Tertiary aliphatic amine - Allylamine - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic oxide - Organic cation - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as thiobarbituric acid derivatives. These are organic compounds containing a 2-thioxodihydropyrimidine-4,6(1H,5H)-dione skeleton.

External Descriptors

Not available

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