Compound Identification
SMILES
NCCO.COC1=C(Cl)C=C(NCC2=C3C(SC4=CC=CC=C34)=NC(=N2)C2CCC(CC2)C(O)=O)C=C1
InChIKey
InChIKey=XDZKYGMNIRJUPE-UHFFFAOYSA-N
Formula
C27H31ClN4O4S
Mass
543.08
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 Phenylalkylamines Phenoxy compounds Chlorobenzenes Secondary alkylarylamines Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Aryl chlorides Heteroaromatic compounds Thiophenes 1,2-aminoalcohols Amino acids Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides Primary alcohols
Molecular Framework
Not available
Substituents
Benzothiophene - Thienopyrimidine - Aminophenyl ether - Methoxyaniline - 1-benzothiophene - Anisole - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Thiophene - Heteroaromatic compound - Amino acid or derivatives - 1,2-aminoalcohol - Amino acid - Alkanolamine - Secondary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Primary alcohol - Primary amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic oxygen compound - Alcohol - Amine - Primary aliphatic amine - Organooxygen compound - Organohalogen compound - Organochloride - 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