Compound Identification
SMILES
CCOC(=O)C1=C(C)C2=C(S1)N=C(C)N=C2SCC#N
InChIKey
InChIKey=CIZITOKFXXMLNW-UHFFFAOYSA-N
Formula
C13H13N3O2S2
Mass
307.39
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 Alkylarylthioethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Aryl thioether - Thiophene carboxylic acid or derivatives - Alkylarylthioether - Pyrimidine - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Sulfenyl compound - Thioether - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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