Compound Identification
SMILES
CC1=CSC2=C1N=C(Cl)N=C2N1N=C(NC2=CN=C3NC=CC3=C2)N=C1N
InChIKey
InChIKey=SZGXBTVBENBHJG-UHFFFAOYSA-N
Formula
C16H12ClN9S
Mass
397.85
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
Pyrrolopyridines Aminopyridines and derivatives 2-halopyrimidines Aryl chlorides Triazoles Thiophenes Pyrroles Heteroaromatic compounds Secondary amines Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyridine - Thienopyrimidine - Aminopyridine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyridine - Pyrimidine - Heteroaromatic compound - Pyrrole - Azole - Thiophene - 1,2,4-triazole - Secondary amine - Azacycle - Amine - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - 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