Compound Identification
SMILES
COC(=O)C1=C(C)N=C(NC(=O)CSC2=NC=NC3=C2C(=CS3)C2=CC=C(F)C=C2)S1
InChIKey
InChIKey=CIRKGDRGASXJDH-UHFFFAOYSA-N
Formula
C20H15FN4O3S3
Mass
474.54
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
2,4,5-trisubstituted thiazoles Thiazolecarboxylic acids and derivatives N-arylamides Alkylarylthioethers Fluorobenzenes Aryl fluorides Pyrimidines and pyrimidine derivatives Thiophenes Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organofluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - 2,4,5-trisubstituted 1,3-thiazole - Aryl thioether - Thiazolecarboxylic acid or derivatives - N-arylamide - Halobenzene - Fluorobenzene - Alkylarylthioether - Pyrimidine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Thiazole - Methyl ester - Azole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioether - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur 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