Structure Information
Structure

Compound Identification

SMILES

Cl.Cl.CN1C2=C(N(CCCN3CCN(CCCSC4=CC=CC=C4)CC3)C=N2)C(=O)N(C)C1=O

InChIKey

InChIKey=SNSXPTBROGHZNQ-UHFFFAOYSA-N

Formula

C23H34Cl2N6O2S

Mass

529.53

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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 - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Thiophenol ether - Pyrimidone - Alkylarylthioether - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Pyrimidine - N-substituted imidazole - Benzenoid - Piperazine - Vinylogous amide - Imidazole - Heteroaromatic compound - Azole - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Sulfenyl compound - Thioether - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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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