Compound Identification
SMILES
CCOCCCN1C(=O)C2=C(N=C1SCC1=CC(Br)=CC=C1)C1=CC=CC=C1S2
InChIKey
InChIKey=FOCPCIKNAQDKAG-UHFFFAOYSA-N
Formula
C22H21BrN2O2S2
Mass
489.45
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
1-benzothiophenes Pyrimidones Bromobenzenes Alkylarylthioethers Aryl bromides Thiophenes Heteroaromatic compounds Lactams Sulfenyl compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - 1-benzothiophene - Thienopyrimidine - Aryl thioether - Bromobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Lactam - Azacycle - Sulfenyl compound - Thioether - Dialkyl ether - Ether - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur 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