Compound Identification
SMILES
COC1=C(Cl)C=C(NCC2=C3C(SC4=CC=CC=C34)=NC(=N2)C2CCC(CC2)C(O)=O)C=C1
InChIKey
InChIKey=IXZPWBVPKXWHDX-UHFFFAOYSA-N
Formula
C25H24ClN3O3S
Mass
482.0
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
Aminophenyl ethers Methoxyanilines 1-benzothiophenes Anisoles Methoxybenzenes Phenoxy compounds Phenylalkylamines Secondary alkylarylamines Chlorobenzenes Alkyl aryl ethers Aryl chlorides Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Thiophenes Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminophenyl ether - Benzothiophene - 1-benzothiophene - Methoxyaniline - Thienopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Amino acid - Secondary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Amine - Organochloride - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen 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