Structure Information
Structure

Compound Identification

SMILES

CC(O)(CN1C2=C(C3CCCN3CC2)C2=NC(CF)=NC=C12)C1=CN=C(C=C1)C(F)(F)F

InChIKey

InChIKey=BPXBPXYPOFESQN-UHFFFAOYSA-N

Formula

C22H23F4N5O

Mass

449.454

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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

Pyrrolopyrimidine - Aralkylamine - Pyridine - Pyrimidine - Substituted pyrrole - N-alkylpyrrolidine - Heteroaromatic compound - Tertiary alcohol - Pyrrole - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Aromatic alcohol - Amine - 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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