Compound Identification
SMILES
COC1=CC=C(CN(CC2=CC=C(OC)C=C2)C2=NC=C(C=N2)C2=C3CCN(CC4=CC=C(C=C4)C(=O)NCCC4=CN=CC=C4)C3=NC(=N2)N2CCOCC2)C=C1
InChIKey
InChIKey=LIEGNSQCXUANRV-UHFFFAOYSA-N
Formula
C45H47N9O4
Mass
777.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrrolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyrimidines
Alternative Parents
Benzamides Phenoxy compounds Methoxybenzenes Anisoles Dialkylarylamines Benzylamines Benzoyl derivatives Alkyl aryl ethers Aminopyrimidines and derivatives Pyridines and derivatives Morpholines Imidolactams Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - Pyrrolopyrimidine - Anisole - Phenoxy compound - Benzoyl - Benzylamine - Phenol ether - Dialkylarylamine - Methoxybenzene - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Benzenoid - Pyrimidine - Pyridine - Monocyclic benzene moiety - Oxazinane - Morpholine - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Ether - Carboxylic acid derivative - Dialkyl ether - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available