Compound Identification
SMILES
NC1=NC2=C(SC(NC3=CC=C(F)C=C3)=C2C#N)C(N)=N1
InChIKey
InChIKey=KMUSKHMWGHSSAV-UHFFFAOYSA-N
Formula
C13H9FN6S
Mass
300.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienopyrimidines
Alternative Parents
3,4,5-trisubstituted-2-aminothiophenes Aniline and substituted anilines N-arylated-2-aminothiophenes Fluorobenzenes Aminopyrimidines and derivatives Imidolactams Aryl fluorides Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - 3,4,5-trisubstituted-2-aminothiophene - Aniline or substituted anilines - Aminopyrimidine - Fluorobenzene - Halobenzene - N-arylated-2-aminothiophene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - 2-aminothiophene - Heteroaromatic compound - Thiophene - Nitrile - Carbonitrile - Secondary amine - Azacycle - Amine - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur 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