Compound Identification
SMILES
ClC1=CC=C(SCCOC2=CC=C(C=C2)C2=NC3=C(C4=C(CCCC4)S3)C(=O)N2)C=C1
InChIKey
InChIKey=XXTRQKOYTGRISJ-UHFFFAOYSA-N
Formula
C24H21ClN2O2S2
Mass
469.01
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
Thiophenol ethers Phenol ethers Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Pyrimidones Aryl chlorides Heteroaromatic compounds Thiophenes Lactams Sulfenyl compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Phenoxy compound - Aryl thioether - Phenol ether - Thiophenol ether - Alkyl aryl ether - Pyrimidone - Chlorobenzene - Alkylarylthioether - Halobenzene - Pyrimidine - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Thiophene - Lactam - Sulfenyl compound - Ether - Azacycle - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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