Compound Identification
SMILES
COC1=C(NC(=O)CSC2=NC3=C(C4=C(CCC4)S3)C(=O)N2C2=CC=C(Cl)C=C2)C=C(C)C=C1
InChIKey
InChIKey=NWWPLRYZUPUUPI-UHFFFAOYSA-N
Formula
C25H22ClN3O3S2
Mass
512.04
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
Anilides Methoxyanilines Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Toluenes Alkylarylthioethers Chlorobenzenes Alkyl aryl ethers Pyrimidones Aryl chlorides Thiophenes Heteroaromatic compounds Lactams Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Anilide - Methoxyaniline - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyrimidone - Toluene - Alkylarylthioether - Aryl halide - Aryl chloride - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Ether - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - 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