Compound Identification
SMILES
CC1=C(C)C2=C(OCC(=O)NC3=C(Br)C=C(C=C3)[N+]([O-])=O)N=CN=C2S1
InChIKey
InChIKey=NXDQASPPVXRPPG-UHFFFAOYSA-N
Formula
C16H13BrN4O4S
Mass
437.27
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
Anilides Nitrobenzenes Nitroaromatic compounds N-arylamides Alkyl aryl ethers Bromobenzenes Pyrimidines and pyrimidine derivatives Aryl bromides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Azacycle - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen 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