Structure Information
Structure

Compound Identification

SMILES

O=C1NC(SCC2=CC=CC=C2)=NC2=C1C1=C(C[NH+](CC3=CC=CC=C3)CC1)S2

InChIKey

InChIKey=HVSOFKPFFGMYOR-UHFFFAOYSA-O

Formula

C23H22N3OS2

Mass

420.57

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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 - Aryl thioether - Benzylamine - Phenylmethylamine - Aralkylamine - Alkylarylthioether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Thiophene - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Sulfenyl compound - Thioether - Amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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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