Compound Identification
SMILES
OCC1=CC=CC(=C1)C1=NC2=C(C=CN2C2CCNCC2)C(=N1)N1CCOCC1
InChIKey
InChIKey=IOBPQMXNKOPXNC-UHFFFAOYSA-N
Formula
C22H27N5O2
Mass
393.491
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolopyrimidines
- Subclass Pyrrolo[2,3-d]pyrimidines
-
Class
Pyrrolopyrimidines
-
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
Dialkylarylamines Benzyl alcohols Aminopyrimidines and derivatives Substituted pyrroles Piperidines Morpholines Imidolactams Heteroaromatic compounds Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Primary alcohols Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - Benzyl alcohol - Dialkylarylamine - Aminopyrimidine - Monocyclic benzene moiety - Morpholine - Oxazinane - Piperidine - Pyrimidine - Substituted pyrrole - Benzenoid - Imidolactam - Heteroaromatic compound - Pyrrole - Tertiary amine - Secondary amine - Oxacycle - Azacycle - Secondary aliphatic amine - Dialkyl ether - Ether - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Organic nitrogen compound - Hydrocarbon derivative - Primary alcohol - Alcohol - 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