Compound Identification
SMILES
NC1=C2C=C(CCC3=CC=CC=C3)SC2=NC(=N1)C1=CC=CC(=C1)C#N
InChIKey
InChIKey=YGNJTBGVBQUWDN-UHFFFAOYSA-N
Formula
C21H16N4S
Mass
356.45
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
Benzonitriles 2,3,5-trisubstituted thiophenes Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Benzonitrile - 2,3,5-trisubstituted thiophene - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Thiophene - Carbonitrile - Nitrile - Azacycle - Organic nitrogen compound - Amine - Hydrocarbon derivative - Cyanide - Organonitrogen compound - Primary 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