Structure Information
Structure

Compound Identification

SMILES

COC(=O)COC1=NC(C)=C(CC2=CC=C(F)C=C2)N2C=C(C)C(C(=O)C(N)=O)=C12

InChIKey

InChIKey=CDKFJAVLDFDZKH-UHFFFAOYSA-N

Formula

C21H20FN3O5

Mass

413.405

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolopyrazines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrolopyrazines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrrolopyrazine - Aryl ketone - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Pyrazine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Pyrrole - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Ketone - Monocarboxylic acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrolopyrazines. These are compounds containing a pyrrolopyrazine moiety, which consists of a pyrrole ring fused to a pyrazine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4.

External Descriptors

Not available

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