Structure Information
Structure

Compound Identification

SMILES

CCC(CC)OC(=O)C1=CN(CC2=CC=CC=C2F)C2=CC(=C(CN(C)CCC3=CC=CC=N3)N2C1=O)C1=C(C)OC(C)=C1

InChIKey

InChIKey=GNBMJCQMUSINRS-UHFFFAOYSA-N

Formula

C35H39FN4O4

Mass

598.719

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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

Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Pyrrolopyrimidine - Fluorobenzene - Halobenzene - Aralkylamine - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyrimidine - Substituted pyrrole - Furan - Heteroaromatic compound - Vinylogous amide - Pyrrole - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Lactam - Amino acid or derivatives - Azacycle - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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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