Structure Information
Structure

Compound Identification

SMILES

CC1=NC(NC2=CC=C(C=C2)C([O-])=O)=C2C=C(SC2=N1)C1=CC=CC=C1

InChIKey

InChIKey=PPUYHVBZDQRSNF-UHFFFAOYSA-M

Formula

C20H14N3O2S

Mass

360.41

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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

Benzoic acid or derivatives - Benzoic acid - Thienopyrimidine - Benzoyl - 2,3,5-trisubstituted thiophene - Aniline or substituted anilines - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Carboxylic acid salt - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen 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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