Structure Information
Structure

Compound Identification

SMILES

CC1=C(NC(=O)CN2C=NC3=C(C=C(S3)C3=CC=CC=C3)C2=O)C=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=NKBFTPPDXYHYRH-UHFFFAOYSA-N

Formula

C21H16N4O4S

Mass

420.44

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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 - Nitrotoluene - Nitroaromatic compound - N-arylamide - 2,3,5-trisubstituted thiophene - Pyrimidone - Toluene - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Lactam - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organic salt - Organic oxygen compound - Organic oxide - 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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