Structure Information
Structure

Compound Identification

SMILES

CC1(C)C(=O)NC2=C1C(N)=NC(=N2)N1N=C(CC2=C(F)C(F)=CC=C2)C2=C1SC(Cl)=C2

InChIKey

InChIKey=XJRXLXXTLYCGKC-UHFFFAOYSA-N

Formula

C20H15ClF2N6OS

Mass

460.89

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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

Pyrrolopyrimidine - 2,3,5-trisubstituted thiophene - Halobenzene - Aminopyrimidine - Fluorobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Aryl fluoride - Benzenoid - Imidolactam - Pyrrole - Pyrazole - Thiophene - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Amine - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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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