Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CCN3C(=O)C4C(NC(CC5=CNC6=CC=CC=C56)(C4C3=O)C(O)=O)C3=CC=C(Br)S3)C=N2)C(=O)N(C)C1=O

InChIKey

InChIKey=YPZPYYXLPIFLKY-UHFFFAOYSA-N

Formula

C29H26BrN7O6S

Mass

680.53

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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 - Alpha-amino acid - Alpha-amino acid or derivatives - Purinone - 3-alkylindole - Indole - Indole or derivatives - Alkaloid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrimidone - Aralkylamine - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Carboxylic acid imide, n-substituted - N-substituted imidazole - Pyrimidine - Benzenoid - Pyrrolidone - 2-pyrrolidone - Substituted pyrrole - N-alkylpyrrolidine - Thiophene - Azole - Pyrrolidine - Vinylogous amide - Carboxylic acid imide - Dicarboximide - Imidazole - Heteroaromatic compound - Pyrrole - Lactam - Amino acid or derivatives - Amino acid - Urea - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Secondary aliphatic amine - Carboxylic acid - Secondary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - 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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