Compound Identification
SMILES
CC1=CC=C(CNC(=O)CSC2=NC3=C(SC=C3)C(=O)N2C2=CC=C(C=C2)C([O-])=O)C=C1
InChIKey
InChIKey=UEFYNVQRHOCUAG-UHFFFAOYSA-M
Formula
C23H18N3O4S2
Mass
464.53
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
Benzoic acids Benzoyl derivatives Toluenes Alkylarylthioethers Pyrimidones Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid salts Lactams Carboxylic acids Azacyclic compounds Sulfenyl compounds Organic oxides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - Benzoic acid - Thienopyrimidine - Aryl thioether - Benzoyl - Alkylarylthioether - Pyrimidone - Toluene - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Carboxamide group - Carboxylic acid salt - Lactam - Secondary carboxylic acid amide - Azacycle - Carboxylic acid - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic anion - 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