Compound Identification
SMILES
CC1=C(NC2=NC3=C(SC=C3)C(Cl)=N2)C=CC(F)=C1
InChIKey
InChIKey=NBDXEJKBNLADKT-UHFFFAOYSA-N
Formula
C13H9ClFN3S
Mass
293.74
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
Aniline and substituted anilines Toluenes Halopyrimidines Fluorobenzenes Aminopyrimidines and derivatives Aryl fluorides Aryl chlorides Thiophenes Heteroaromatic compounds Secondary amines Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Aniline or substituted anilines - Aminopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Toluene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Azacycle - Secondary amine - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organofluoride - Organonitrogen compound - Organic nitrogen compound - 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