Structure Information
Structure

Compound Identification

SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(CCC(F)F)N1C=C(C=N1)C1=C2C=CNC2=NC=N1

InChIKey

InChIKey=XDOHYPHRAPUZMC-UHFFFAOYSA-N

Formula

C21H21F2N5O2S

Mass

445.49

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrrolo[2,3-d]pyrimidine - Benzenesulfonyl group - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Pyrazole - Pyrrole - Sulfone - Sulfonyl - Heteroaromatic compound - Azacycle - Organic oxygen compound - Alkyl halide - Organosulfur compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organic nitrogen compound - Organic oxide - Organohalogen compound - Hydrocarbon derivative - 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

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