Structure Information
Structure

Compound Identification

SMILES

Cl.O=C(NCCN1CCOCC1)C1=CC=C(N1)C=C1C(=O)NC2=C1C(NC1=CC=CC(=C1)C#C)=NC=N2

InChIKey

InChIKey=BRBDFETWAZWINH-UHFFFAOYSA-N

Formula

C26H26ClN7O3

Mass

519.99

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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

Pyrrolopyrimidine - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyrimidine - Substituted pyrrole - Imidolactam - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Lactam - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Acetylide - Hydrochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - 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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