Compound Identification
SMILES
CN1C=C(C(=O)NCC2=CC=C(Br)C=C2)C(=O)C2=C1SC(CN1CCOCC1)=C2
InChIKey
InChIKey=UPWPLJLBGOEQEY-UHFFFAOYSA-N
Formula
C21H22BrN3O3S
Mass
476.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienopyridines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienopyridines
Alternative Parents
Pyridinecarboxamides 2,3,5-trisubstituted thiophenes Aralkylamines Bromobenzenes Morpholines Aryl bromides Vinylogous amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Thienopyridine - 2,3,5-trisubstituted thiophene - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyridine - Benzenoid - Vinylogous amide - Thiophene - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxygen compound - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
External Descriptors
Not available