Compound Identification
SMILES
BrC1=CC=CC(OCCSC2=NC3=C(C4=C(CCCC4)S3)C(=O)N2)=C1
InChIKey
InChIKey=FGKBDTYJLPSNIV-UHFFFAOYSA-N
Formula
C18H17BrN2O2S2
Mass
437.37
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
Phenol ethers Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Bromobenzenes Pyrimidones Aryl bromides Heteroaromatic compounds Thiophenes Lactams Sulfenyl compounds Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Phenol ether - Phenoxy compound - Aryl thioether - Alkyl aryl ether - Bromobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Benzenoid - Aryl halide - Pyrimidine - Monocyclic benzene moiety - Aryl bromide - Thiophene - Heteroaromatic compound - Lactam - Sulfenyl compound - Thioether - Azacycle - Ether - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen 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