Compound Identification
SMILES
[O-][N+](=O)C1=CC(Br)=C(C=C1)C1=CC=C(O1)C=CC1=NC2=C(C3=C(CCCC3)S2)C(=O)N1
InChIKey
InChIKey=ZSTQKUUOTUIYLS-UHFFFAOYSA-N
Formula
C22H16BrN3O4S
Mass
498.35
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
Nitrobenzenes Nitroaromatic compounds Pyrimidones Bromobenzenes Aryl bromides Thiophenes Furans Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organobromides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Thienopyrimidine - Nitroaromatic compound - Bromobenzene - Halobenzene - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Furan - Heteroaromatic compound - Thiophene - Lactam - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Organic oxoazanium - Organic salt - Organobromide - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic zwitterion - 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