Structure Information
Structure

Compound Identification

SMILES

CCC1=CC2=C(S1)N=C(SCC(=O)C(C#N)=C(C)N)N(CC=C)C2=O

InChIKey

InChIKey=PRVQJXWGJYRSNF-UHFFFAOYSA-N

Formula

C17H18N4O2S2

Mass

374.48

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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 - Aryl thioether - 2,3,5-trisubstituted thiophene - Pyrimidone - Alkylarylthioether - Pyrimidine - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Thiophene - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Vinylogous amide - Ketone - Lactam - Sulfenyl compound - Azacycle - Thioether - Enamine - Carbonitrile - Nitrile - Amine - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Primary amine - Primary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organopnictogen 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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