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(Cl)C=C3)C2=O)=C1

InChIKey

InChIKey=QEMUOZHJIBHURM-UHFFFAOYSA-N

Formula

C33H25Cl3N6O7S

Mass

756.01

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