Structure Information
Structure

Compound Identification

SMILES

CCCN1C2=C(N(C=N2)C2=CN=C(OC(C3CNC(=O)C3)C3=CC=C(C=C3)C(F)(F)F)C=C2)C(=O)N(CCC)C1=O

InChIKey

InChIKey=BBNITNVRCNIWNZ-UHFFFAOYSA-N

Formula

C28H29F3N6O4

Mass

570.573

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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 - Trifluoromethylbenzene - Purinone - Alkaloid or derivatives - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Pyrimidine - Pyrrolidone - 2-pyrrolidone - Benzenoid - Vinylogous amide - Pyrrolidine - Heteroaromatic compound - Azole - Imidazole - Urea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Ether - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Alkyl halide - Organofluoride - Organonitrogen compound - Organooxygen compound - 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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