Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1CCC(CC1)C1=NC(NCC2=CC(Cl)=C(Cl)C=C2)=C2C(SC3=CC=CC=C23)=N1

InChIKey

InChIKey=RZNNBFOQTDMTBI-UHFFFAOYSA-N

Formula

C24H21Cl2N3O2S

Mass

486.41

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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

Benzothiophene - 1-benzothiophene - Thienopyrimidine - Benzylamine - 1,2-dichlorobenzene - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Thiophene - Heteroaromatic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Organochloride - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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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