Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolopyrimidines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrolopyrimidines

Alternative Parents

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

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