Compound Identification
SMILES
Cl.NC1=NC=C(N=C1)C#CC1=CC2=C(NC3=CC4=C(C=C3)N(CC3=CC=CC=C3)N=C4)N=CN=C2S1
InChIKey
InChIKey=LAGUPXJZMSCORY-UHFFFAOYSA-N
Formula
C26H19ClN8S
Mass
511.0
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
Indazoles 2,3,5-trisubstituted thiophenes Aminopyrimidines and derivatives Aminopyrazines Imidolactams Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyrazole - Indazole - Thienopyrimidine - 2,3,5-trisubstituted thiophene - Aminopyrazine - Aminopyrimidine - Monocyclic benzene moiety - Pyrazine - Pyrimidine - Imidolactam - Benzenoid - Pyrazole - Heteroaromatic compound - Thiophene - Azole - Azacycle - Organic nitrogen compound - Primary amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Hydrochloride - 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