Compound Identification
SMILES
C(C1=NC2=C(N1)C=C(NC1=NC=NC3=C1SC(=C3)C#CC1=CNN=C1)C=C2)C1=CC=CC=C1
InChIKey
InChIKey=OODFRSPLVNQPNI-UHFFFAOYSA-N
Formula
C25H17N7S
Mass
447.52
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
Benzimidazoles 2,3,5-trisubstituted thiophenes Aminopyrimidines and derivatives Imidolactams Benzene and substituted derivatives Pyrazoles Imidazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Thienopyrimidine - 2,3,5-trisubstituted thiophene - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Pyrazole - Imidazole - Thiophene - Azole - Secondary amine - Azacycle - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - 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