Compound Identification
SMILES
CCC1=CC=[N+](CC2=NC3=C(C(C)=C(S3)C(=O)OC)C(=O)N2)C=C1
InChIKey
InChIKey=MUPCLNSCBNGBTG-UHFFFAOYSA-O
Formula
C17H18N3O3S
Mass
344.41
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
Thiophene carboxylic acids and derivatives Pyrimidones Pyridinium derivatives Methyl esters Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Thiophene carboxylic acid or derivatives - Pyrimidone - Pyridine - Pyridinium - Pyrimidine - Heteroaromatic compound - Methyl ester - Thiophene - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - 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