Compound Identification
SMILES
FC(F)(F)C1=NC(=S)C2=C(N1)C(C#N)=C1CCCCN21
InChIKey
InChIKey=IAJDRXSGLTYALG-UHFFFAOYSA-N
Formula
C12H9F3N4S
Mass
298.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrrolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyrimidines
Alternative Parents
Pyrimidinethiones Substituted pyrroles Heteroaromatic compounds Nitriles Azacyclic compounds Organosulfur compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrimidine - Pyrimidinethione - Pyrimidine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Alkyl halide - Cyanide - Organic nitrogen compound - Alkyl fluoride - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - 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