Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)C2=C(NC3=C(OC4CCC(CC4)N(C)S(C)(=O)=O)C=C(F)C=C3)N=CN=C2S1

InChIKey

InChIKey=AYHUMKHLQDZPKH-UHFFFAOYSA-N

Formula

C23H27FN4O5S2

Mass

522.61

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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 - Phenoxy compound - Thiophene carboxylic acid or derivatives - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Halobenzene - Aminopyrimidine - Fluorobenzene - Benzenoid - Imidolactam - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organic sulfonic acid amide - Organosulfonic acid amide - Heteroaromatic compound - Methyl ester - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Thiophene - Aminosulfonyl compound - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Secondary amine - Carboxylic acid derivative - Ether - Organic oxide - Organosulfur compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - 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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