Compound Identification
SMILES
FC(F)(F)C1=CC(Cl)=C([NH+]=C1)N1CCCN(CC1)C1=C2C=CSC2=NC=N1
InChIKey
InChIKey=NGXWUXOBPUZSGU-UHFFFAOYSA-O
Formula
C17H16ClF3N5S
Mass
414.85
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
Dialkylarylamines Aminopyrimidines and derivatives Aminopyridines and derivatives 1,4-diazepanes Pyridinium derivatives Imidolactams Aryl chlorides Thiophenes Heteroaromatic compounds Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Dialkylarylamine - Aminopyridine - Aminopyrimidine - Diazepane - 1,4-diazepane - Aryl chloride - Aryl halide - Pyridine - Pyridinium - Pyrimidine - Imidolactam - Heteroaromatic compound - Thiophene - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Alkyl fluoride - Alkyl halide - Organic cation - 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