Compound Identification
SMILES
CC(C)C1=CC=CC=C1NC(=O)CSC1=NC=NC2=C1C(=CS2)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=NBZWHUOCCKKSHE-UHFFFAOYSA-N
Formula
C23H20ClN3OS2
Mass
454.0
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 Anilides Cumenes N-arylamides Alkylarylthioethers Chlorobenzenes Pyrimidines and pyrimidine derivatives Aryl chlorides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cumene - Phenylpropane - Thienopyrimidine - Anilide - Aryl thioether - N-arylamide - Chlorobenzene - Halobenzene - Alkylarylthioether - Benzenoid - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic oxide - 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