Compound Identification
SMILES
CC1=CC(C(=O)\C=C2/NC3=C(SC=C3)C(=O)N2C2=CC=CC=C2F)=C(C=C1)C#N
InChIKey
InChIKey=VDMYEIYDLIBRBO-RGVLZGJSSA-N
Formula
C22H14FN3O2S
Mass
403.43
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
Aryl ketones Benzonitriles Benzoyl derivatives 2-heteroaryl carboxamides Toluenes Fluorobenzenes Pyrimidines and pyrimidine derivatives Aryl fluorides Vinylogous amides Thiophenes Tertiary carboxylic acid amides Enones Heteroaromatic compounds Acryloyl compounds Ketene acetals Lactams Azacyclic compounds Nitriles Hydrocarbon derivatives Amines Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - 2-heteroaryl carboxamide - Benzonitrile - Benzoyl - Aryl ketone - Halobenzene - Fluorobenzene - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Acryloyl-group - Heteroaromatic compound - Enone - Vinylogous amide - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Ketone - Ketene acetal or derivatives - Azacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organofluoride - Organohalogen compound - Organic oxygen 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