Structure Information
Structure

Compound Identification

SMILES

CN1C2=NC=NC2=C(SCC2=CC=CC=C2Cl)N=C1N

InChIKey

InChIKey=ROQXHWYXBJBMFZ-UHFFFAOYSA-N

Formula

C13H12ClN5S

Mass

305.78

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazopyrimidines

Subclass

Purines and purine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

6-thiopurines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

6-thiopurine - Aryl thioether - Alkylarylthioether - Halobenzene - Chlorobenzene - Aminopyrimidine - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Imidazole - Azole - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 6-thiopurines. These are compounds containing a purine that carries a thiol group at the 6-position. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.

External Descriptors

Not available

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