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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolopyrimidines
- Subclass Pyrrolo[2,3-d]pyrimidines
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Class
Pyrrolopyrimidines
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Superclass
Organoheterocyclic compounds
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
Aminopyrimidines and derivatives Substituted pyrroles Imidolactams Heteroaromatic compounds Thioamides Oxolanes Fluorohydrins Secondary alcohols Oxacyclic compounds Thiocarboxylic acid amides Azacyclic compounds Organofluorides Hydrocarbon derivatives Thiocarbonyl compounds Alkyl fluorides Primary amines Primary alcohols
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