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(CC3=CC=CC=C3)C2=O)=C1

InChIKey

InChIKey=DFPYTZMMKDNFEE-UHFFFAOYSA-N

Formula

C32H25Cl2N5O6S

Mass

678.54

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