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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolopyrimidines
- Subclass Pyrrolo[2,3-d]pyrimidines
-
Class
Pyrrolopyrimidines
-
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
Benzenesulfonyl compounds Pyrimidines and pyrimidine derivatives Sulfones Pyrroles Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
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