Compound Identification
SMILES
CCN(CC)C1=CC(=O)\C(=C\NNC(=O)C2=C(CSC3=NCCS3)N(N=N2)C2=NON=C2N)C=C1
InChIKey
InChIKey=MEPQREHOYUWRDS-ZRDIBKRKSA-N
Formula
C20H24N10O3S2
Mass
516.6
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
Imidolactams Vinylogous amides Triazoles Thiazolines Furazans Heteroaromatic compounds Trialkylamines Amino acids and derivatives Carboxylic acid hydrazides Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Enamines Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Imidolactam - Azole - Furazan - Oxadiazole - Meta-thiazoline - 1,2,3-triazole - Vinylogous amide - Heteroaromatic compound - Carboxylic acid hydrazide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Enamine - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amine - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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