Compound Identification
SMILES
ClC1=CC2=C(NCC3=CC4=C(OCO4)C=C3)N=C(N=C2S1)N1C=CN=C1
InChIKey
InChIKey=KETNZGUFRRBILK-UHFFFAOYSA-N
Formula
C17H12ClN5O2S
Mass
385.83
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
Benzodioxoles 2,3,5-trisubstituted thiophenes Secondary alkylarylamines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Benzenoids Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Thienopyrimidine - 2,3,5-trisubstituted thiophene - Aminopyrimidine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - N-substituted imidazole - Pyrimidine - Benzenoid - Imidolactam - Imidazole - Thiophene - Heteroaromatic compound - Azole - Acetal - Azacycle - Oxacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - 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