Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CC(=O)NN=C3SCC(=O)N3C3=CC=C(Br)C=C3)C=N2)C(=O)N(C)C1=O

InChIKey

InChIKey=ACGLVSLIMASQBN-UHFFFAOYSA-N

Formula

C18H16BrN7O4S

Mass

506.34

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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 - Purinone - 6-oxopurine - Alkaloid or derivatives - Halobenzene - Bromobenzene - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Pyrimidine - Azole - Heteroaromatic compound - Thiazolidine - Vinylogous amide - Imidazole - Urea - Lactam - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen 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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