Structure Information
Structure

Compound Identification

SMILES

COCC1=CC(C)=NC2=C1C1=C(S2)C(=O)N[C@@H](N1)C1=CC(OC)=C2OCOC2=C1OC

InChIKey

InChIKey=WCNVUMHPOZRVHC-LJQANCHMSA-N

Formula

C21H21N3O6S

Mass

443.47

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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

Benzodioxole - Thienopyridine - Thienopyrimidine - 2-heteroaryl carboxamide - Anisole - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Methylpyridine - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Lactam - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen 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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