Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C(=O)COC(=O)CCC2=NC3=C(C4=C(CCCC4)S3)C(=O)N2)=C(C)N1CC1CCCO1

InChIKey

InChIKey=PGDYJVYSSDDFKM-UHFFFAOYSA-N

Formula

C26H31N3O5S

Mass

497.61

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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 - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - Pyrimidone - Alpha-acyloxy ketone - Pyrimidine - Substituted pyrrole - Fatty acyl - Oxolane - Pyrrole - Thiophene - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Ketone - Lactam - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aldehyde - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - 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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