Structure Information
Structure

Compound Identification

SMILES

NCCO.COC1=C(Cl)C=C(CNC2=C3C4=C(CCCC4)SC3=NC(CCCCC(O)=O)=N2)C=C1

InChIKey

InChIKey=LPJFPNNBLADWHI-UHFFFAOYSA-N

Formula

C25H33ClN4O4S

Mass

521.07

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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

Not available

Substituents

Thienopyrimidine - Phenoxy compound - Anisole - Benzylamine - Methoxybenzene - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Imidolactam - Pyrimidine - Benzenoid - Thiophene - Heteroaromatic compound - 1,2-aminoalcohol - Monocarboxylic acid or derivatives - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Organochloride - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Primary aliphatic amine - Alcohol - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary alcohol - Primary amine - 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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