Compound Identification
SMILES
CS(=O)(=O)OCCC1=CC2=C(N)N=C(N=C2S1)C1=CC=CC(=C1)C#N
InChIKey
InChIKey=ZXOYKPXMFLBNAR-UHFFFAOYSA-N
Formula
C16H14N4O3S2
Mass
374.43
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 Sulfonic acid esters Organosulfonic acid esters Imidolactams Sulfonyls Methanesulfonates Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Benzonitrile - 2,3,5-trisubstituted thiophene - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Sulfonic acid ester - Organosulfonic acid ester - Imidolactam - Benzenoid - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Thiophene - Nitrile - Carbonitrile - Azacycle - Organic nitrogen compound - Organic oxide - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - 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