Compound Identification
SMILES
COCCCNC(=O)CSC1=NC2=C(SC=C2)C(=O)N1CCCCCC(O)=O
InChIKey
InChIKey=IJKCYGDVQQMRSJ-UHFFFAOYSA-N
Formula
C18H25N3O5S2
Mass
427.53
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
Medium-chain fatty acids Alkylarylthioethers Pyrimidones Heterocyclic fatty acids Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Lactams Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Aryl thioether - Medium-chain fatty acid - Heterocyclic fatty acid - Pyrimidone - Alkylarylthioether - Pyrimidine - Fatty acid - Fatty acyl - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Lactam - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic oxide - 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