Compound Identification
SMILES
COCCOCN1C(Br)=C(C#N)C2=C1N=CN=C2N
InChIKey
InChIKey=GTMDIARQESCPJE-UHFFFAOYSA-N
Formula
C11H12BrN5O2
Mass
326.154
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
Aminopyrimidines and derivatives Substituted pyrroles Imidolactams Aryl bromides Heteroaromatic compounds Nitriles Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - Aminopyrimidine - Aryl bromide - Aryl halide - Pyrimidine - Imidolactam - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Dialkyl ether - Ether - Carbonitrile - Nitrile - Azacycle - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - 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