Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CCN3C(=O)C4C(NC(CC5=CC=C(C=C5)[N+]([O-])=O)(C4C3=O)C(O)=O)C3=NC=CS3)C=N2)C(=O)N(C)C1=O

InChIKey

InChIKey=MLXAKEKJZMJZFQ-UHFFFAOYSA-N

Formula

C26H24N8O8S

Mass

608.59

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazopyrimidines

Subclass

Purines and purine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Xanthines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Xanthine - 3-phenylpropanoic-acid - 6-oxopurine - Alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Purinone - Alkaloid or derivatives - Nitrobenzene - Nitroaromatic compound - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Aralkylamine - Pyrimidone - Pyrimidine - N-substituted imidazole - Benzenoid - Carboxylic acid imide, n-substituted - N-alkylpyrrolidine - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Azole - Carboxylic acid imide - Dicarboximide - Imidazole - Heteroaromatic compound - Vinylogous amide - Pyrrolidine - Thiazole - Urea - Amino acid - Lactam - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Organic oxoazanium - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.

External Descriptors

Not available

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