Compound Identification
SMILES
FC1=CC=CC(COC2=C(Cl)C=C(NC3=C4C=C(SC4=NC=N3)C#C[C@H]3CCC4COC(=O)N34)C=C2)=C1
InChIKey
InChIKey=JMJUHTAATWOXHL-FIWHBWSRSA-N
Formula
C27H20ClFN4O3S
Mass
534.99
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 Oxazolidinones Aryl chlorides Aryl fluorides Imidolactams Carbamate esters Pyrrolidines Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Organochlorides Carbonyl compounds Amines Organofluorides Organic oxides 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 - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Oxazolidinone - Pyrimidine - Imidolactam - Benzenoid - Carbamic acid ester - Oxazolidine - Thiophene - Pyrrolidine - Heteroaromatic compound - Azacycle - Oxacycle - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen 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