Structure Information
Structure

Compound Identification

SMILES

COCCOCN1C(Br)=C(C#N)C2=C1N=CN=C2N

InChIKey

InChIKey=GTMDIARQESCPJE-UHFFFAOYSA-N

Formula

C11H12BrN5O2

Mass

326.154

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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 - Aminopyrimidine - Aryl bromide - Aryl halide - Pyrimidine - Imidolactam - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Dialkyl ether - Ether - Carbonitrile - Nitrile - Azacycle - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - 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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