Compound Identification
SMILES
O=C(COC(=O)CCC1=NC2=C(C3=C(CCCC3)S2)C(=O)N1)NC1=CC=CC(=C1)C#N
InChIKey
InChIKey=XITPPCYTUHFCAI-UHFFFAOYSA-N
Formula
C22H20N4O4S
Mass
436.49
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 Benzonitriles N-arylamides Pyrimidones Fatty acid esters Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Lactams Nitriles Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Anilide - Benzonitrile - N-arylamide - Fatty acid ester - Pyrimidone - Pyrimidine - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Carbonyl group - 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