Structure Information
Structure

Compound Identification

SMILES

COC1=C(Cl)C=C(CNC2=C3C(SC4=CC=CC=C34)=NC(CCCCCCC(O)=O)=N2)C=C1

InChIKey

InChIKey=OGMKXSIWCDVZCH-UHFFFAOYSA-N

Formula

C25H26ClN3O3S

Mass

484.01

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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

1-benzothiophene - Benzothiophene - Thienopyrimidine - Phenoxy compound - Anisole - Methoxybenzene - Benzylamine - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Aminopyrimidine - Halogenated fatty acid - Heterocyclic fatty acid - Chlorobenzene - Halobenzene - Aryl chloride - Fatty acyl - Pyrimidine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Imidolactam - Fatty acid - Heteroaromatic compound - Thiophene - Monocarboxylic acid or derivatives - Ether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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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