Structure Information
Structure

Compound Identification

SMILES

CC1=NC2=C(C(C#N)=C(N2)SCC(=O)NCC2=CC=CC=C2)C(NCC2=CC=CC=C2)=N1

InChIKey

InChIKey=IPPIXUUVGZKFTG-UHFFFAOYSA-N

Formula

C24H22N6OS

Mass

442.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolopyrimidines

Subclass

Pyrrolo[2,3-d]pyrimidines

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrolo[2,3-d]pyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrrolo[2,3-d]pyrimidine - Aryl thioether - Benzylamine - Aminopyrimidine - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.

External Descriptors

Not available

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