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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridopyrimidines
- Subclass Cylindrospermopsins
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Class
Pyridopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridopyrimidines
Subclass
Cylindrospermopsins
Intermediate Tree Nodes
Not available
Direct Parent
Cylindrospermopsins
Alternative Parents
Delta amino acids and derivatives Imidazopyrimidines Pyrimidones N-acyl ureas Alkyl sulfates Sulfuric acid monoesters Diazinanes Pyridines and derivatives Piperidines Imidazolines Dicarboximides Secondary alcohols Guanidines Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
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