Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(SC3=C2N=CN=C3NC2=CC(Br)=CC=C2)C=C1
InChIKey
InChIKey=WETDBUJWZMYYBC-UHFFFAOYSA-N
Formula
C16H9BrN4O2S
Mass
401.24
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
1-benzothiophenes Aniline and substituted anilines Nitroaromatic compounds Aminopyrimidines and derivatives Bromobenzenes Aryl bromides Imidolactams Thiophenes Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organobromides Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - Thienopyrimidine - 1-benzothiophene - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Bromobenzene - Halobenzene - Imidolactam - Benzenoid - Aryl bromide - Aryl halide - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Organic nitro compound - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Hydrocarbon derivative - Organohalogen compound - Organobromide - Amine - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organic zwitterion - Organic salt - Organic oxide - 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