Structure Information
Structure

Compound Identification

SMILES

CS(=O)(=O)OCCC1=CC2=C(N)N=C(N=C2S1)C1=CC=CC(=C1)C#N

InChIKey

InChIKey=ZXOYKPXMFLBNAR-UHFFFAOYSA-N

Formula

C16H14N4O3S2

Mass

374.43

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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 - Benzonitrile - 2,3,5-trisubstituted thiophene - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Sulfonic acid ester - Organosulfonic acid ester - Imidolactam - Benzenoid - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Thiophene - Nitrile - Carbonitrile - Azacycle - Organic nitrogen compound - Organic oxide - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Amine - 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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