Structure Information
Structure

Compound Identification

SMILES

CC[C@@H](SC1=NC2=C(NC3=CC=CC=C23)C(=O)N1C1=CC=CC=C1F)C(O)=O

InChIKey

InChIKey=XETHMYUYXHOAQR-OAHLLOKOSA-N

Formula

C20H16FN3O3S

Mass

397.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolopyrimidines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrolopyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indole - Indole or derivatives - Pyrrolopyrimidine - Aryl thioether - Fluorobenzene - Halobenzene - Pyrimidone - Thia fatty acid - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Fatty acyl - Benzenoid - Heteroaromatic compound - Pyrrole - Lactam - Carboxylic acid derivative - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

Not available

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