Structure Information
Structure

Compound Identification

SMILES

CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)C(=O)N1CCN(CC#CC2=CC(=CC=C2)C#N)CC1)C1=CC=CC=C1

InChIKey

InChIKey=VCLFUSYDYJLGOH-UHFFFAOYSA-N

Formula

C31H30N8O2

Mass

546.635

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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 - 2-heteroaryl carboxamide - Benzonitrile - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aminopyrimidine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyrimidine - Imidolactam - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Acetamide - Pyrrole - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Amine - 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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