Compound Identification
SMILES
FC1=CC=C(CCC(=O)NCC#CC2=CC3=C(S2)C(NC2=CC(Cl)=C(OCC4=CC(F)=CC=C4)C=C2)=NC=N3)C=C1
InChIKey
InChIKey=LHWSQLGUUJDTTH-UHFFFAOYSA-N
Formula
C31H23ClF2N4O2S
Mass
589.06
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
2,3,5-trisubstituted thiophenes Phenoxy compounds Phenol ethers Aniline and substituted anilines Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Fatty amides Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Secondary amines Organic oxides Carbonyl compounds Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Phenoxy compound - Phenol ether - Aniline or substituted anilines - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Benzenoid - Imidolactam - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Fatty amide - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Ether - Secondary amine - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - 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