Compound Identification
SMILES
CCOC1=C(Cl)C=C(CNC2=C3C(SC4=CC=CC=C34)=NC(CCCC(O)=O)=N2)C=C1
InChIKey
InChIKey=SSDNEXWQUHAKQE-UHFFFAOYSA-N
Formula
C23H22ClN3O3S
Mass
455.96
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
1-benzothiophenes Phenoxy compounds Phenol ethers Benzylamines Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Thiophenes Heteroaromatic compounds Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Carbonyl compounds Organic oxides Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - 1-benzothiophene - Thienopyrimidine - Phenoxy compound - Benzylamine - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Benzenoid - Thiophene - Heteroaromatic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Ether - Carboxylic acid - Organochloride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - 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