Compound Identification
SMILES
CCOC(=O)C1=C(C)C2=C(NC3=CC(=CC=C3)[N+]([O-])=O)N=CN=C2S1
InChIKey
InChIKey=WGBHVVZXGWOMRM-UHFFFAOYSA-N
Formula
C16H14N4O4S
Mass
358.37
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 Thiophene carboxylic acids and derivatives Aniline and substituted anilines Nitroaromatic compounds Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Secondary amines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Thienopyrimidine - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Amine - Organic salt - 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