Structure Information
Structure

Compound Identification

SMILES

CC1=NNC2=NC(=S)N(C(N)=C12)C1=C(C)C=CC(Cl)=C1

InChIKey

InChIKey=HUSWPCQGNXYDRV-UHFFFAOYSA-N

Formula

C13H12ClN5S

Mass

305.78

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrazolopyrimidines

Subclass

Pyrazolo[3,4-d]pyrimidines

Intermediate Tree Nodes

Not available

Direct Parent

Pyrazolo[3,4-d]pyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrazolo[3,4-d]pyrimidine - Aminopyrimidine - Chlorobenzene - Halobenzene - Pyrimidinethione - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Primary amine - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrazolo[3,4-d]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine ring.

External Descriptors

Not available

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