Structure Information
Structure

Compound Identification

SMILES

NCCO.COC1=C(Cl)C=C(NCC2=C3C(SC4=CC=CC=C34)=NC(=N2)C2CCC(CC2)C(O)=O)C=C1

InChIKey

InChIKey=XDZKYGMNIRJUPE-UHFFFAOYSA-N

Formula

C27H31ClN4O4S

Mass

543.08

Export to:

JSON SDF CSV

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

Not available

Substituents

Benzothiophene - Thienopyrimidine - Aminophenyl ether - Methoxyaniline - 1-benzothiophene - Anisole - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Thiophene - Heteroaromatic compound - Amino acid or derivatives - 1,2-aminoalcohol - Amino acid - Alkanolamine - Secondary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Primary alcohol - Primary amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic oxygen compound - Alcohol - Amine - Primary aliphatic amine - Organooxygen compound - Organohalogen compound - Organochloride - 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

Previous Back Next