Compound Identification
SMILES
BrC1=CC=C(O1)C(=O)NN1C(=S)NC2=C(C=C(CC3=CC=CC=C3)S2)C1=O
InChIKey
InChIKey=PUSGRHXNIUPBRP-UHFFFAOYSA-N
Formula
C18H12BrN3O3S2
Mass
462.34
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
2,3,5-trisubstituted thiophenes Furoic acid and derivatives Pyrimidones Pyrimidinethiones 2-Thiopyrimidines Aryl bromides Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Furoic acid or derivatives - 2,3,5-trisubstituted thiophene - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Furan - Heteroaromatic compound - Thiophene - Vinylogous amide - Lactam - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organopnictogen 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