Compound Identification
SMILES
CC1=C(C)C2=C(NC(SCC(=O)NC3=C(O)C=CC(C)=C3)=[N+](CC3=CC=CO3)C2=O)S1
InChIKey
InChIKey=WOJYVJXZAPORCZ-UHFFFAOYSA-O
Formula
C22H22N3O4S2
Mass
456.55
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 Para cresols N-arylamides Toluenes 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Pyrimidones Vinylogous amides Thiophenes Furans Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Anilide - Aryl thioether - P-cresol - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyrimidone - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Furan - Heteroaromatic compound - Thiophene - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Lactam - Thioether - Oxacycle - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - 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