Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C=C(NC(=O)C2=CC=CC=C2)C2=NC3=C(N2)C(=O)NC(=S)N3)=CC(OC)=C1OC

InChIKey

InChIKey=MLZCQCBZBHPDFW-UHFFFAOYSA-N

Formula

C23H21N5O5S

Mass

479.51

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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

Thioxanthines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Thioxanthine - 6-oxopurine - Benzoic acid or derivatives - Benzamide - Benzoyl - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - 2-thiopyrimidine - Alkyl aryl ether - Pyrimidinethione - Pyrimidone - Thiopyrimidine - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Imidazole - Azole - Vinylogous amide - Heteroaromatic compound - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Ether - Organic oxide - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thioxanthines. These are organic polycyclic compounds containing a thioxanthine moiety, which is an aromatic bicyclic structure derived from xanthine by replacing a carbonyl group with a thiocarbonyl group.

External Descriptors

Not available

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