Structure Information
Structure

Compound Identification

SMILES

CCC1=C(C)SC2=C1C(=O)N(C[C@H]1CCCO1)C(SCC(=O)NC1=CC=CC=C1[N+]([O-])=O)=N2

InChIKey

InChIKey=NXDSSQWQFWDZJI-CQSZACIVSA-N

Formula

C22H24N4O5S2

Mass

488.58

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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

Nitrobenzene - Thienopyrimidine - Anilide - Aryl thioether - Nitroaromatic compound - N-arylamide - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Oxolane - Heteroaromatic compound - Thiophene - Organic nitro compound - Carboxamide group - Lactam - C-nitro compound - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organic oxoazanium - Oxacycle - Thioether - Sulfenyl compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic salt - 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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