Structure Information
Structure

Compound Identification

SMILES

COC1=CC(CC2=CC3=C(N2)N=C(N)N=C3NC2=CC(Br)=CC=C2)=CC(OC)=C1OC

InChIKey

InChIKey=RAHJYUHWGCMOFT-UHFFFAOYSA-N

Formula

C22H22BrN5O3

Mass

484.354

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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 - Anisole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Bromobenzene - Halobenzene - Benzenoid - Substituted pyrrole - Pyrimidine - Imidolactam - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Secondary amine - Azacycle - Ether - Primary amine - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen 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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