Structure Information
Structure

Compound Identification

SMILES

C[C@@H](SC1=NC2=C(NC3=CC=CC=C23)C(=O)N1C1=C(C)C=CC(C)=C1)C([O-])=O

InChIKey

InChIKey=RHJYQFDTVZRQCU-CYBMUJFWSA-M

Formula

C21H18N3O3S

Mass

392.45

Export to:

JSON SDF CSV

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 - Pyrrolopyrimidine - Aryl thioether - P-xylene - Xylene - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxylic acid salt - Lactam - Sulfenyl compound - Carboxylic acid derivative - Thioether - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic anion - 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

Previous Back Next