Compound Identification
SMILES
NC1=C(C#N)[C@H](C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C2=C(NC(=S)NC2=O)O1
InChIKey
InChIKey=LRDTVFYYPKSERZ-VIFPVBQESA-N
Formula
C14H8ClN5O4S
Mass
377.76
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 Pyrimidones Pyrimidinethiones 2-Thiopyrimidines Chlorobenzenes Pyridines and derivatives Aryl chlorides Vinylogous esters Vinylogous amides Heteroaromatic compounds Thioureas Ketene acetals Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Organic zwitterions Hydrocarbon derivatives Organic salts Amines Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyranopyrimidine - Pyranopyridine - Nitrobenzene - Nitroaromatic compound - Pyrimidone - Pyrimidinethione - 2-thiopyrimidine - Halobenzene - Chlorobenzene - Thiopyrimidine - Benzenoid - Aryl chloride - Aryl halide - Pyrimidine - Pyridine - Monocyclic benzene moiety - Vinylogous ester - Heteroaromatic compound - Vinylogous amide - Ketene acetal or derivatives - Lactam - C-nitro compound - Organic nitro compound - Thiourea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Oxacycle - Organic oxoazanium - Organic zwitterion - Organohalogen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Organic salt - Cyanide - 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