Structure Information
Structure

Compound Identification

SMILES

COC1=C(Cl)C=C(CNC2=C3C4=C(CCCC4)SC3=NC(CS(=O)(=O)N3CCC(CC3)C(O)=O)=N2)C=C1

InChIKey

InChIKey=NJIVTRAYWOJPIW-UHFFFAOYSA-N

Formula

C25H29ClN4O5S2

Mass

565.1

Export to:

JSON SDF CSV

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

Piperidinecarboxylic acid - Thienopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Benzylamine - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Chlorobenzene - Benzenoid - Imidolactam - Organosulfonic acid amide - Monocyclic benzene moiety - Organic sulfonic acid amide - Aryl halide - Pyrimidine - Piperidine - Aryl chloride - Heteroaromatic compound - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Carboxylic acid - Organosulfur compound - Organic oxygen compound - Organic oxide - Carbonyl group - Amine - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen 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

Previous Back Next