Structure Information
Structure

Compound Identification

SMILES

CN(C)C\C=C\C(=O)N1CCC2=C(C1)SC1=NC=NC(NC3=CC(Cl)=C(F)C=C3)=C21

InChIKey

InChIKey=HPFJHEDRHGTCFT-ONEGZZNKSA-N

Formula

C21H21ClFN5OS

Mass

445.94

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thienopyrimidines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thienopyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Thienopyrimidine - Aniline or substituted anilines - Fluorobenzene - Aminopyrimidine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Imidolactam - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Azacycle - Amine - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - 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 thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur 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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