Structure Information
Structure

Compound Identification

SMILES

CC1=C(SC2=C1C(=O)N(CCO)C(=O)N2CC1=CC=C(Cl)C=C1)C([O-])=O

InChIKey

InChIKey=DOWZTSHISTXRDQ-UHFFFAOYSA-M

Formula

C17H14ClN2O5S

Mass

393.82

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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 - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Halobenzene - Chlorobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxylic acid salt - Urea - Lactam - Alkanolamine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Alcohol - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic anion - 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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