Structure Information
Structure

Compound Identification

SMILES

CCN(CCCNC(=O)CN1C=NC2=C(C(=C(C)S2)S(=O)(=O)N2CCC(C)CC2)C1=O)C1=CC=CC(C)=C1

InChIKey

InChIKey=VUUYIBNYIJTQPS-UHFFFAOYSA-N

Formula

C27H37N5O4S2

Mass

559.74

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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 - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Pyrimidone - Toluene - Monocyclic benzene moiety - Piperidine - Pyrimidine - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Thiophene - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Tertiary amine - Carboxamide group - Lactam - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - 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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