Compound Identification
SMILES
NC1=NC2=C(C=C(CC3=CC=C(Cl)C=C3)N2)C(NC2=CC(Br)=CC=C2)=N1
InChIKey
InChIKey=YHWUBFBUCSKQSU-UHFFFAOYSA-N
Formula
C19H15BrClN5
Mass
428.72
Taxonomic Classification
Taxonomy Tree
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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
Aniline and substituted anilines Chlorobenzenes Bromobenzenes Aminopyrimidines and derivatives Substituted pyrroles Imidolactams Aryl chlorides Aryl bromides Heteroaromatic compounds Secondary amines Azacyclic compounds Primary amines Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - Aniline or substituted anilines - Aminopyrimidine - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Substituted pyrrole - Benzenoid - Imidolactam - Heteroaromatic compound - Pyrrole - Azacycle - Secondary amine - Organochloride - Organobromide - Organohalogen compound - Organonitrogen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - 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