Compound Identification
SMILES
CC1=CC=C(CN2C(Br)=C(C#N)C3=C2N=CN=C3N)C=C1
InChIKey
InChIKey=LTMJPZXNOHOLRO-UHFFFAOYSA-N
Formula
C15H12BrN5
Mass
342.2
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolopyrimidines
- Subclass Pyrrolo[2,3-d]pyrimidines
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Class
Pyrrolopyrimidines
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Superclass
Organoheterocyclic compounds
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
Toluenes Aminopyrimidines and derivatives Substituted pyrroles Imidolactams Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - Aminopyrimidine - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Substituted pyrrole - Pyrimidine - Heteroaromatic compound - Pyrrole - Azacycle - Carbonitrile - Nitrile - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Cyanide - Organobromide - Organonitrogen compound - Primary amine - 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