Compound Identification
SMILES
NC(=O)C[C@H]1CCN(C1)C1=NC(=NC2=C1C=C(COC1=CC(Cl)=CC=C1)N2)C1=CC=CC=C1
InChIKey
InChIKey=NDHVCPFGQGUGDY-MRXNPFEDSA-N
Formula
C25H24ClN5O2
Mass
461.95
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
Phenoxy compounds Phenol ethers Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Substituted pyrroles Imidolactams Aryl chlorides Pyrrolidines Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - Phenol ether - Dialkylarylamine - Phenoxy compound - Aminopyrimidine - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Pyrrolidine - Pyrrole - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Ether - Azacycle - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - 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