Compound Identification
SMILES
COC(=O)[C@@H]1CCCN(C1)C1=NC(=O)C2=C(N1)C(=CS2)C1=CC=C(C)C=C1
InChIKey
InChIKey=RCKBATYIYCXITE-CQSZACIVSA-N
Formula
C20H21N3O3S
Mass
383.47
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
Piperidinecarboxylic acids Dialkylarylamines Toluenes Pyrimidones Aminopyrimidines and derivatives Vinylogous amides Thiophenes Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Piperidinecarboxylic acid - Thienopyrimidine - Dialkylarylamine - Aminopyrimidine - Pyrimidone - Toluene - Monocyclic benzene moiety - Piperidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - 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