Compound Identification
SMILES
NC1=C(C#N)[C@H](C2=CC=CC=C2[N+]([O-])=O)C2=C(NC(=S)NC2=O)O1
InChIKey
InChIKey=QIEZBSATWFRMGV-VIFPVBQESA-N
Formula
C14H9N5O4S
Mass
343.32
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 Nitrobenzenes Nitroaromatic compounds 2-Thiopyrimidines Pyrimidones Pyrimidinethiones Pyridines and derivatives Vinylogous esters Vinylogous amides Heteroaromatic compounds Thioureas Ketene acetals Lactams Oxacyclic compounds Nitriles Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Amines Hydrocarbon derivatives Organic oxides Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyranopyridine - Pyranopyrimidine - Nitrobenzene - Nitroaromatic compound - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Ketene acetal or derivatives - Lactam - Thiourea - Organic nitro compound - C-nitro compound - Organic oxoazanium - Azacycle - Oxacycle - Carbonitrile - Nitrile - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amine - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - 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