Structure Information
Structure

Compound Identification

SMILES

OCC(O)CNC(=O)CN1C=C(I)C(=N1)C(=O)NCC(O)CO

InChIKey

InChIKey=AYQSTUAFJLIQME-UHFFFAOYSA-N

Formula

C12H19IN4O6

Mass

442.21

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Carboxylic acid derivatives

Intermediate Tree Nodes

Carboxylic acid amides

Direct Parent

2-heteroaryl carboxamides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Aryl halide - Aryl iodide - Azole - Pyrazole - Heteroaromatic compound - Vinylogous halide - Secondary alcohol - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group.

External Descriptors

Not available

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