Compound Identification
SMILES
COCCOC(=O)C1=C(C)C2=C(S1)N=C(NC2=O)C(Cl)=CC1=CC=C(SC)C=C1
InChIKey
InChIKey=JQNVDEXPYQVQFK-UHFFFAOYSA-N
Formula
C20H19ClN2O4S2
Mass
450.95
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 Thiophene carboxylic acids and derivatives Alkylarylthioethers Pyrimidones Benzene and substituted derivatives Heteroaromatic compounds Carboxylic acid esters Lactams Azacyclic compounds Dialkyl ethers Chloroalkenes Vinyl chlorides Sulfenyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Aryl thioether - Thiophene carboxylic acid or derivatives - Thiophenol ether - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Chloroalkene - Thioether - Haloalkene - Sulfenyl compound - Vinyl chloride - Vinyl halide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organochloride - 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