Structure Information
Structure

Compound Identification

SMILES

CCCN1C2=C(NC(=N2)C2=CN=C(C=C2)N(CCN2CCCCC2)C(=O)C2=CN=C(C=C2)C(F)(F)F)C(=O)N(C2CC2)C1=O

InChIKey

InChIKey=XLHBCJMUAJETQC-UHFFFAOYSA-N

Formula

C30H33F3N8O3

Mass

610.642

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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 - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Alkaloid or derivatives - Pyrimidone - Imidolactam - Piperidine - Pyrimidine - Pyridine - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Urea - Carboxamide group - Tertiary aliphatic amine - Lactam - Tertiary amine - Carboxylic acid derivative - Azacycle - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alkyl fluoride - Alkyl halide - 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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