Compound Identification
SMILES
NC1CN(CCS1)C1=NC=C\C(N1)=C1/C=C(C=CC1=O)C1=CC=C(O)C=C1
InChIKey
InChIKey=GSIGBUTVEMBNDS-MSUUIHNZSA-N
Formula
C20H20N4O2S
Mass
380.47
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
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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
O-quinomethanes
Alternative Parents
1-hydroxy-2-unsubstituted benzenoids Thiomorpholines Hydropyrimidines Benzene and substituted derivatives Vinylogous amides Guanidines Thiohemiaminal derivatives Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Carboximidamides Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Hydropyrimidine - 1,6-dihydropyrimidine - 1,4-thiazinane - Benzenoid - Vinylogous amide - Guanidine - Azacycle - Organoheterocyclic compound - Dialkylthioether - Thioether - Hemithioaminal - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Aromatic 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