Compound Identification
SMILES
NC1=C(C#N)[C@H](C2=CC=CS2)C2=C(O1)N=CNC2=O
InChIKey
InChIKey=XQHXUFTWMPGRPV-MRVPVSSYSA-N
Formula
C12H8N4O2S
Mass
272.28
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 Pyrimidones Pyridines and derivatives Vinylogous esters Thiophenes Heteroaromatic compounds Lactams Ketene acetals Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyranopyridine - Pyranopyrimidine - Pyrimidone - Pyridine - Pyrimidine - Heteroaromatic compound - Vinylogous ester - Thiophene - Ketene acetal or derivatives - Lactam - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Primary aliphatic amine - 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