Structure Information
Structure

Compound Identification

SMILES

CC1C2CN=C3NC(CC(CC1OS(O)(=O)=O)N23)C(O)C1CC(=O)NC(=O)N1

InChIKey

InChIKey=YOBTXXHFOXVTEX-UHFFFAOYSA-N

Formula

C15H23N5O7S

Mass

417.44

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridopyrimidines

Subclass

Cylindrospermopsins

Intermediate Tree Nodes

Not available

Direct Parent

Cylindrospermopsins

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Cylindrospermopsin-skeleton - Delta amino acid or derivatives - Imidazopyrimidine - N-acyl urea - Pyrimidone - Ureide - 1,3-diazinane - Piperidine - Pyridine - Pyrimidine - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Dicarboximide - Organic sulfuric acid or derivatives - 2-imidazoline - Secondary alcohol - Urea - Carbonic acid derivative - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboximidamide - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cylindrospermopsins. These are compounds containing a cylindrospermopsin moiety, which contains a triazaacenaphthylene moiety linked to a pyrimidinedione.

External Descriptors

Not available

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