Structure Information
Structure

Compound Identification

SMILES

CCO.CCNC1=C(F)C=C2C(SC3=C2N=CN=C3NC2=CC(Br)=CC=C2)=C1

InChIKey

InChIKey=RBRCYNOKJULJMW-UHFFFAOYSA-N

Formula

C20H20BrFN4OS

Mass

463.37

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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

Not available

Substituents

Benzothiophene - 1-benzothiophene - Thienopyrimidine - Aniline or substituted anilines - Aminopyrimidine - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Thiophene - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Alcohol - Amine - 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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