Structure Information
Structure

Compound Identification

SMILES

CC(=O)NC1=NC=C(C=C1)C(=O)N(CCOCCO)C1=NC=C(CSC2=NC3=C(N2)C(=O)N(C2CC(C2)C(F)(F)F)C(=O)N3CC(F)(F)F)C=C1

InChIKey

InChIKey=BTIKGMWUPFKKQK-UHFFFAOYSA-N

Formula

C30H30F6N8O6S

Mass

744.67

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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 - 6-oxopurine - Purinone - Nicotinamide - N-acetylarylamine - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Alkaloid or derivatives - Aryl thioether - N-arylamide - Pyrimidone - Alkylarylthioether - Pyridine - Pyrimidine - Imidolactam - Acetamide - Vinylogous amide - Azole - Tertiary carboxylic acid amide - Imidazole - Heteroaromatic compound - Urea - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Thioether - Carboxylic acid derivative - Dialkyl ether - Ether - Sulfenyl compound - Organohalogen compound - Organic oxygen compound - Alkyl halide - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Alkyl fluoride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Organic oxide - 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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