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Structure Information
Structure

Compound Identification

SMILES

CSC1=NC2=C(C(CN=[N+]=[N-])=C(Br)N2CC2=CC=CC=C2)C(SC)=N1

InChIKey

InChIKey=XMHIOTBEDIVQPV-UHFFFAOYSA-N

Formula

C16H15BrN6S2

Mass

435.36

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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 - Aryl thioether - Alkylarylthioether - Aryl bromide - Aryl halide - Benzenoid - Substituted pyrrole - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azo compound - Azo imide - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organosulfur compound - Organic salt - Organic cation - 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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