Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=C(NC(=O)CSC2=NC3=C(C4=C(CCCC4)S3)C(=O)N2)C=C1)[N+]([O-])=O

InChIKey

InChIKey=WUQUBMDLMFEAHB-UHFFFAOYSA-N

Formula

C19H18N4O4S2

Mass

430.5

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