Compound Identification
SMILES
CCSC1=NC2=C(C3=C(COC(C3)C(C)C)S2)C(=O)N1C1=CC=C(C)C=C1
InChIKey
InChIKey=WHJCYBQAHVLWIV-UHFFFAOYSA-N
Formula
C21H24N2O2S2
Mass
400.56
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
Thienopyrans Toluenes Pyrimidones Alkylarylthioethers Pyrans Thiophenes Heteroaromatic compounds Lactams Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyran - Thienopyrimidine - Aryl thioether - Pyrimidone - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Pyran - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Lactam - Oxacycle - Thioether - Ether - Dialkyl ether - Sulfenyl compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen 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