Compound Identification
SMILES
CC1=CC(CSC2=NC3=C(SC=C3)C(=O)N2NC(=O)COC2=CC=CC=C2Br)=CC=C1
InChIKey
InChIKey=HVOYCLBIAYHMGM-UHFFFAOYSA-N
Formula
C22H18BrN3O3S2
Mass
516.43
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 Toluenes Pyrimidones Aryl bromides Heteroaromatic compounds Thiophenes Lactams Carboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Lactam - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organobromide - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organosulfur 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