Structure Information
Structure

Compound Identification

SMILES

N#CC1=CC(CN2C=C(C=N2)C2=C3C=CNC3=NC=N2)=CC=C1

InChIKey

InChIKey=VRYSVXJBUYKTLO-UHFFFAOYSA-N

Formula

C17H12N6

Mass

300.325

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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 - Benzonitrile - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Pyrazole - Pyrrole - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - 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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