Compound Identification
SMILES
COC1=CC(CC2=CC3=C(N2)N=C(N)N=C3NC2=CC(Br)=CC=C2)=CC(OC)=C1OC
InChIKey
InChIKey=RAHJYUHWGCMOFT-UHFFFAOYSA-N
Formula
C22H22BrN5O3
Mass
484.354
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 Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Bromobenzenes Substituted pyrroles Aryl bromides Imidolactams Heteroaromatic compounds Azacyclic compounds Secondary amines Organobromides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - Anisole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Bromobenzene - Halobenzene - Benzenoid - Substituted pyrrole - Pyrimidine - Imidolactam - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Secondary amine - Azacycle - Ether - Primary amine - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen 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