Compound Identification
SMILES
CC1=C(SC2=C1C(=O)N(CCO)C(=O)N2CC1=CC=C(Cl)C=C1)C([O-])=O
InChIKey
InChIKey=DOWZTSHISTXRDQ-UHFFFAOYSA-M
Formula
C17H14ClN2O5S
Mass
393.82
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
Thiophene carboxylic acids Pyrimidones Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Carboxylic acid salts Lactams Alkanolamines Azacyclic compounds Carboxylic acids Primary alcohols Organochlorides Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Halobenzene - Chlorobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxylic acid salt - Urea - Lactam - Alkanolamine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Alcohol - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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