Compound Identification
SMILES
NC1=C(C#N)[C@@H](C2=CC=C(S2)[N+]([O-])=O)C2=C(O1)N=C([O-])NC2=O
InChIKey
InChIKey=GFFVEXLWZBLVSZ-ZETCQYMHSA-M
Formula
C12H6N5O5S
Mass
332.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyranopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyranopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyranopyrimidines
Alternative Parents
Pyranopyridines 2-nitrothiophenes Nitroaromatic compounds 2,5-disubstituted thiophenes Pyrimidones Pyridines and derivatives Vinylogous esters Heteroaromatic compounds Lactams Ketene acetals Nitriles Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Amines Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyranopyrimidine - Pyranopyridine - Nitrothiophene - 2-nitrothiophene - Nitroaromatic compound - Pyrimidone - 2,5-disubstituted thiophene - Pyridine - Pyrimidine - Heteroaromatic compound - Vinylogous ester - Thiophene - C-nitro compound - Organic nitro compound - Lactam - Ketene acetal or derivatives - Oxacycle - Azacycle - Organic oxoazanium - Nitrile - Carbonitrile - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyranopyrimidines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyrimidine ring.
External Descriptors
Not available