Compound Identification
SMILES
CC1=C(NC2=NC(=O)C3=C(N2)C=CS3)C=CC(F)=C1
InChIKey
InChIKey=XBYYQKFZWMZXKE-UHFFFAOYSA-N
Formula
C13H10FN3OS
Mass
275.3
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 Pyrimidones Fluorobenzenes Aminopyrimidines and derivatives Aryl fluorides Vinylogous amides Thiophenes Heteroaromatic compounds Secondary amines Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Aniline or substituted anilines - Aminopyrimidine - Fluorobenzene - Halobenzene - Pyrimidone - Toluene - Benzenoid - Aryl halide - Aryl fluoride - Pyrimidine - Monocyclic benzene moiety - Vinylogous amide - Thiophene - Heteroaromatic compound - Secondary amine - Azacycle - Organic oxide - Organofluoride - Organohalogen compound - Amine - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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