Compound Identification
SMILES
ClC1=CC=C(CC2=CN=C(NC(=O)CSC3=NC4=C(C(=CS4)C4=CC=CC=C4)C(=O)N3C3=CC=CC=C3)S2)C=C1
InChIKey
InChIKey=YTYRJEZEEJULNQ-UHFFFAOYSA-N
Formula
C30H21ClN4O2S3
Mass
601.15
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
N-arylamides 2,5-disubstituted thiazoles Alkylarylthioethers Pyrimidones Chlorobenzenes Aryl chlorides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Sulfenyl compounds Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Aryl thioether - N-arylamide - 2,5-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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