Compound Identification
SMILES
CC1=CC(NC2=NC=NC3=NNC(NC4=CC(Cl)=CC=C4)=C23)=CC=C1
InChIKey
InChIKey=PLZVTPONFFMTDM-UHFFFAOYSA-N
Formula
C18H15ClN6
Mass
350.81
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
Aniline and substituted anilines Toluenes Chlorobenzenes Aminopyrimidines and derivatives Imidolactams Aryl chlorides Pyrazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolo[3,4-d]pyrimidine - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Pyrazole - Azole - Secondary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - 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