Compound Identification
SMILES
CCCC1=NN2C(S1)=NC(=O)C(C=C1C=CC(=O)C(OC)=C1)=C2N
InChIKey
InChIKey=LKCFUQKWVZKLHE-UHFFFAOYSA-N
Formula
C16H16N4O3S
Mass
344.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 P-quinomethanes
-
Level 7
Quinomethanes
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones - Quinomethanes
Direct Parent
P-quinomethanes
Alternative Parents
Pyrimidones Aminopyrimidines and derivatives Vinylogous amides Thiadiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-quinomethane - Aminopyrimidine - Pyrimidone - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Thiadiazole - Azacycle - Organoheterocyclic compound - Primary amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.
External Descriptors
Not available