Structure Information
Structure

Compound Identification

SMILES

CN(N=O)C(=O)NCCSC1=NC=NC2=NC=NC12

InChIKey

InChIKey=SIQZZJYBVLPQAS-UHFFFAOYSA-N

Formula

C9H11N7O2S

Mass

281.29

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Organic carbonic acids and derivatives

Subclass

Ureas

Intermediate Tree Nodes

Nitrosoureas

Direct Parent

N-methylnitrosoureas

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

N-methylnitrosourea - Hydropyrimidine - 5,6-dihydropyrimidine - Imidazole - Semicarbazide - Nitrosamide - Organic n-nitroso compound - Organic nitroso compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-methylnitrosoureas. These are organonitrogen compounds with the general formula H3CN(N=O)R(N)=O (R = any atom).

External Descriptors

Not available

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