Compound Identification
SMILES
CCOC(=O)C1=C(C)C2=C(S1)N=C(NC2=O)[C@H](C)N[C@H](C)C1=CC=CC=C1Cl
InChIKey
InChIKey=WIWZXZZATWBSAI-NEPJUHHUSA-N
Formula
C20H22ClN3O3S
Mass
419.92
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 Chlorobenzenes Aralkylamines Aryl chlorides Heteroaromatic compounds Lactams Carboxylic acid esters Amino acids and derivatives Dialkylamines Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aralkylamine - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Carboxylic acid ester - Lactam - Azacycle - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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