Compound Identification
SMILES
COC1=CC(=CNNC(=O)C2=C(CSC3=NCCS3)N(N=N2)C2=NON=C2N)C=C(Br)C1=O
InChIKey
InChIKey=XFMWQQJDMBHKML-UHFFFAOYSA-N
Formula
C17H16BrN9O4S2
Mass
554.4
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
Primary aromatic amines Imidolactams Vinylogous amides Alpha-haloketones Triazoles Thiazolines Furazans Heteroaromatic compounds Amino acids and derivatives Carboxylic acid hydrazides Vinyl bromides Sulfenyl compounds Azacyclic compounds Bromoalkenes Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Aldehydes Organopnictogen compounds Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-quinomethane - Primary aromatic amine - Imidolactam - Alpha-haloketone - Azole - Furazan - Heteroaromatic compound - Oxadiazole - Meta-thiazoline - 1,2,3-triazole - Vinylogous amide - Amino acid or derivatives - Carboxylic acid hydrazide - Carboxylic acid derivative - Oxacycle - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl bromide - Vinyl halide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organosulfur compound - Amine - Organic nitrogen compound - Primary amine - Organopnictogen compound - Aldehyde - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - 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