Compound Identification
SMILES
NC1=C(C#N)[C@H](C2=C(F)C=CC=C2Cl)C2=C(NC(=S)NC2=O)O1
InChIKey
InChIKey=UPINWLSTBCHVCK-MRVPVSSYSA-N
Formula
C14H8ClFN4O2S
Mass
350.75
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-Thiopyrimidines Chlorobenzenes Fluorobenzenes Pyrimidinethiones Pyrimidones Aryl fluorides Aryl chlorides Pyridines and derivatives Vinylogous esters Vinylogous amides Heteroaromatic compounds Thioureas Lactams Ketene acetals Oxacyclic compounds Azacyclic compounds Nitriles Amines Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyranopyridine - Pyranopyrimidine - 2-thiopyrimidine - Thiopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Pyrimidone - Pyrimidinethione - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Thiourea - Ketene acetal or derivatives - Lactam - Azacycle - Oxacycle - Carbonitrile - Nitrile - Organosulfur compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - 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