Structure Information
Structure

Compound Identification

SMILES

O=C1NC(=S)N(C2CC2)C(=O)[C@H]1C=NCC[NH+]1CC[NH2+]CC1

InChIKey

InChIKey=CNLFIVCUVKIQCQ-NSHDSACASA-P

Formula

C14H23N5O2S

Mass

325.43

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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 - N-alkylpiperazine - 1,3-diazinane - 1,4-diazinane - Piperazine - 1,3-dicarbonyl compound - Quaternary ammonium salt - Amino acid or derivatives - Tertiary aliphatic amine - Thiourea - Shiff base - Tertiary amine - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Aldimine - Secondary amine - Organooxygen compound - Organonitrogen compound - Imine - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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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