Compound Identification
SMILES
COC1=C(Cl)C=C(CN(C)C2=C3C(SC4=CC=CC=C34)=NC(CCC(O)=O)=N2)C=C1
InChIKey
InChIKey=HLMLDXRLSOIMOX-UHFFFAOYSA-N
Formula
C22H20ClN3O3S
Mass
441.93
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
1-benzothiophenes Phenoxy compounds Methoxybenzenes Anisoles Dialkylarylamines Benzylamines Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Imidolactams Aryl chlorides Thiophenes Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - Thienopyrimidine - 1-benzothiophene - Anisole - Benzylamine - Phenol ether - Phenoxy compound - Dialkylarylamine - Methoxybenzene - Chlorobenzene - Halobenzene - Aminopyrimidine - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Thiophene - Heteroaromatic compound - Monocarboxylic acid or derivatives - Ether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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