Compound Identification
SMILES
COC1=CC=CC=C1N1C(=O)N(CC2=CC(Cl)=CC=C2)C2=C(C3=C(CN(CC3)C(C)=O)S2)C1=O
InChIKey
InChIKey=UASZWQLTZSRYCR-UHFFFAOYSA-N
Formula
C25H22ClN3O4S
Mass
495.98
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
Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds Pyrimidones Alkyl aryl ethers Chlorobenzenes Aryl chlorides Acetamides Thiophenes Tertiary carboxylic acid amides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyrimidone - Benzenoid - Aryl chloride - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Thiophene - Tertiary carboxylic acid amide - Heteroaromatic compound - Acetamide - Urea - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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