Structure Information
Structure

Compound Identification

SMILES

CC#CCN1C(N(OC(=O)C(F)(F)F)C2=C1C(=O)N(C)C(SC(C)(C)C)=N2)N1CCNCC1

InChIKey

InChIKey=RUCFCHXFMGNXGU-UHFFFAOYSA-N

Formula

C20H27F3N6O3S

Mass

488.53

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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

Purinones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Purinone - Aryl thioether - Dialkylarylamine - Pyrimidone - N-alkylpiperazine - Alkylarylthioether - 1,4-diazinane - Piperazine - Pyrimidine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Tertiary amine - Amino acid or derivatives - Orthocarboxylic acid derivative - Ortho amide - Lactam - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Alkyl fluoride - Organooxygen compound - Organosulfur compound - Carbonyl group - Alkyl halide - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.

External Descriptors

Not available

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