Compound Identification
SMILES
CSC1=NC2=C(C=NN2CC(Cl)C2=CC=CC=C2)C(NCC2=CC=CC=C2)=N1
InChIKey
InChIKey=VRYGLOHNGHJHFM-UHFFFAOYSA-N
Formula
C21H20ClN5S
Mass
409.94
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrazolopyrimidines
- Subclass Pyrazolo[3,4-d]pyrimidines
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Class
Pyrazolopyrimidines
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Superclass
Organoheterocyclic compounds
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
Benzylamines Aminopyrimidines and derivatives Alkylarylthioethers Imidolactams Pyrazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolo[3,4-d]pyrimidine - Aryl thioether - Benzylamine - Aminopyrimidine - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Pyrazole - Azole - Heteroaromatic compound - Sulfenyl compound - Thioether - Azacycle - Alkyl halide - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alkyl chloride - 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