Structure Information
Structure

Compound Identification

SMILES

CCCN1C(=O)N(CCCCC2=CC=C(C=C2)S(O)(=O)=O)C2=C(NC(CC3=CC=CC=C3)=N2)C1=O

InChIKey

InChIKey=AJGCEJSAUBROIR-UHFFFAOYSA-N

Formula

C25H28N4O5S

Mass

496.58

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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

Phenylbutylamine - Xanthine - 6-oxopurine - Purinone - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Alkaloid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - 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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