Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)CSC2=NC3=C(C(=CS3)C3=CC=C(F)C=C3)C(=O)N2C2=CC=CC=C2)SC=C1C1=CC=C(C=C1)C(C)(C)C
InChIKey
InChIKey=XACWFAFHNQVPOL-UHFFFAOYSA-N
Formula
C37H32FN3O4S3
Mass
697.86
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
Phenylpropanes N-arylamides Thiophene carboxylic acids and derivatives Alkylarylthioethers Fluorobenzenes Pyrimidones Aryl fluorides Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpropane - Thienopyrimidine - Aryl thioether - Thiophene carboxylic acid or derivatives - N-arylamide - Fluorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Lactam - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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