Structure Information
Structure

Compound Identification

SMILES

FC1=CC=CC(COC2=C(Cl)C=C(NC3=NC=NC4=C3SC(=C4)C#CCNC(=O)CC3=CC=CC=N3)C=C2)=C1

InChIKey

InChIKey=IYZPMQVKYYAKAQ-UHFFFAOYSA-N

Formula

C29H21ClFN5O2S

Mass

558.03

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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 - Phenol ether - Aniline or substituted anilines - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Chlorobenzene - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Secondary amine - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - 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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