Compound Identification
SMILES
CCOC(=O)C1=C(C)C2=C(S1)N=C(NC2=O)[C@H](C)[NH2+][C@H](C)C1=CC=CC=C1Cl
InChIKey
InChIKey=WIWZXZZATWBSAI-NEPJUHHUSA-O
Formula
C20H23ClN3O3S
Mass
420.93
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 and derivatives Pyrimidones Aralkylamines Chlorobenzenes Aryl chlorides Quaternary ammonium salts Heteroaromatic compounds Carboxylic acid esters Lactams Dialkylamines Azacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Quaternary ammonium salt - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Hydrocarbon derivative - Amine - Organohalogen compound - Organic oxygen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic cation - 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