Compound Identification
SMILES
NC1=C(NC=C2C=CC(=O)C=C2)C=NC(=S)N1
InChIKey
InChIKey=LOSHUFJRYZPKKM-UHFFFAOYSA-N
Formula
C11H10N4OS
Mass
246.29
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
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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
Pyrimidinethiones Aminopyrimidines and derivatives 2-Thiopyrimidines Hydropyrimidines Heteroaromatic compounds Enamines Azacyclic compounds Allylamines Primary amines Organosulfur compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-quinomethane - Aminopyrimidine - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Enamine - Allylamine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic oxide - Primary amine - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic 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