Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC2=NC3=C(N2CC2=C(Cl)C=C(Cl)C=C2)C(=O)N(C)C(=O)N3C)C=CC(C=C2SC(=O)N(CC(=O)NC3=CC=C(Br)C=C3)C2=O)=C1

InChIKey

InChIKey=XYQLPHROUSNOEI-UHFFFAOYSA-N

Formula

C33H25BrCl2N6O7S

Mass

800.46

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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

Diaryl ether - Xanthine - 6-oxopurine - Purinone - Alpha-amino acid or derivatives - Alkaloid or derivatives - Anilide - Phenoxy compound - Anisole - Phenol ether - 1,3-dichlorobenzene - Methoxybenzene - N-arylamide - Chlorobenzene - Bromobenzene - Halobenzene - Alkyl aryl ether - Thiazolidinedione - Pyrimidone - Aryl bromide - N-substituted imidazole - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Imidazole - Dicarboximide - Vinylogous amide - Thiazolidine - Heteroaromatic compound - Azole - Urea - Thiocarbamic acid derivative - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Ether - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - 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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