Structure Information
Structure

Compound Identification

SMILES

O=C(CSC1=NC2=C(C3=C(CN(CCC4=CC=CC=C4)CC3)S2)C(=O)N1C1=CC=CC=C1)NC1=CC=CC=C1

InChIKey

InChIKey=OUBVCNXFBCHKHF-UHFFFAOYSA-N

Formula

C31H28N4O2S2

Mass

552.71

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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

Phenethylamine - Thienopyrimidine - Anilide - Aryl thioether - N-arylamide - Pyrimidone - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Carboxamide group - Lactam - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Sulfenyl compound - Carboxylic acid derivative - Thioether - Azacycle - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen 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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