Compound Identification
SMILES
CCO.CCNC1=C(F)C=C2C(SC3=C2N=CN=C3NC2=CC(Br)=CC=C2)=C1
InChIKey
InChIKey=RBRCYNOKJULJMW-UHFFFAOYSA-N
Formula
C20H20BrFN4OS
Mass
463.37
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
1-benzothiophenes Aniline and substituted anilines Secondary alkylarylamines Bromobenzenes Aminopyrimidines and derivatives Imidolactams Aryl fluorides Aryl bromides Thiophenes Heteroaromatic compounds Azacyclic compounds Primary alcohols Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Benzothiophene - 1-benzothiophene - Thienopyrimidine - Aniline or substituted anilines - Aminopyrimidine - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Thiophene - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Alcohol - Amine - 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