Compound Identification
SMILES
COC1=CC=C(NC(=O)CN2C3=C(C=C(C)S3)C(=O)N(C2=O)C2=CC(Cl)=CC=C2)C=C1
InChIKey
InChIKey=MRMSXXDNCXRFAU-UHFFFAOYSA-N
Formula
C22H18ClN3O4S
Mass
455.91
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 Anilides Phenoxy compounds 2,3,5-trisubstituted thiophenes N-arylamides Methoxybenzenes Anisoles Pyrimidones Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Anilide - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - N-arylamide - 2,3,5-trisubstituted thiophene - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyrimidone - Benzenoid - Aryl halide - Aryl chloride - Pyrimidine - Monocyclic benzene moiety - Vinylogous amide - Thiophene - Heteroaromatic compound - Urea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Ether - Carboxylic acid derivative - Azacycle - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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