Compound Identification
SMILES
CCN(CC)C1=CC(=O)\C(=C\NNC2=NC(=O)CS2)C=C1
InChIKey
InChIKey=PGJPATZCIYJVOK-CSKARUKUSA-N
Formula
C14H18N4O2S
Mass
306.38
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 O-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
O-quinomethanes
Alternative Parents
Vinylogous amides Thiazolines Trialkylamines N-acylimines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Enamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
O-quinomethane - Meta-thiazoline - Vinylogous amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - N-acylimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Enamine - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Amine - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available