Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(=C1)N1C(=O)C2=C(N=C1SCC(=O)N1CCC(C)CC1)C1=CC=CC=C1N2

InChIKey

InChIKey=PSOCTIJZQRWZKU-UHFFFAOYSA-N

Formula

C25H26N4O3S

Mass

462.57

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolopyrimidines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrolopyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indole - Indole or derivatives - N-acyl-piperidine - Pyrrolopyrimidine - Methoxyaniline - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Pyrimidone - Benzenoid - Pyrimidine - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Lactam - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen 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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