Structure Information
Structure

Compound Identification

SMILES

NC(=S)C1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)C2=C1C(N)=NC=N2

InChIKey

InChIKey=KXABSFMWMQVAIC-ADVRJHOBSA-N

Formula

C12H14FN5O3S

Mass

327.33

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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 - Aminopyrimidine - Pyrimidine - Imidolactam - Substituted pyrrole - Heteroaromatic compound - Oxolane - Pyrrole - Thioamide - Fluorohydrin - Halohydrin - Secondary alcohol - Oxacycle - Azacycle - Thiocarboxylic acid amide - Primary amine - Primary alcohol - Alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl fluoride - Alkyl halide - Thiocarbonyl group - 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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