Compound Identification
SMILES
CC(C)CN1C2=C(C(Br)=C(S2)C(=O)C2=CN=CC=C2)C(=O)N(C)C1=O
InChIKey
InChIKey=ATZUWILUGGKKPA-UHFFFAOYSA-N
Formula
C17H16BrN3O3S
Mass
422.3
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
Pyridinecarboxylic acids and derivatives Thiophene carboxylic acids and derivatives Aryl ketones Pyrimidones Aryl bromides Vinylogous halides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridine carboxylic acid or derivatives - Thienopyrimidine - Thiophene carboxylic acid or derivatives - Aryl ketone - Pyrimidone - Aryl bromide - Aryl halide - Pyridine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Thiophene - Lactam - Ketone - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - 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