Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC1=NC2=C(SCC2)C(=O)N1C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=JLWQZFXEPDBWPV-UHFFFAOYSA-N

Formula

C21H23N5O6S2

Mass

505.56

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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 - Piperazine-1-carboxylic acid - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Piperazine - 1,4-diazinane - Tertiary carboxylic acid amide - Carbamic acid ester - Heteroaromatic compound - Carboxamide group - Lactam - Organic nitro compound - C-nitro compound - 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 - Sulfenyl compound - Thioether - Organonitrogen compound - Carbonyl group - Organic salt - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - 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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