Compound Identification
SMILES
COC1=C(Cl)C=C(CNC2=C3C(SC4=CC=CC=C34)=NC(CCCCC(O)=O)=N2)C=C1
InChIKey
InChIKey=VXCPPJWBHMZOCM-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 Anisoles Benzylamines Medium-chain fatty acids Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Halogenated fatty acids Heterocyclic fatty acids Aryl chlorides Imidolactams Thiophenes Heteroaromatic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Amines Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Benzothiophene - Thienopyrimidine - Phenoxy compound - Anisole - Methoxybenzene - Benzylamine - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Aminopyrimidine - Halogenated fatty acid - Heterocyclic fatty acid - Chlorobenzene - Halobenzene - Aryl chloride - Fatty acyl - Pyrimidine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Imidolactam - Fatty acid - Heteroaromatic compound - Thiophene - Monocarboxylic acid or derivatives - Ether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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