Compound Identification
SMILES
COC1=C\C(=C/NNC2=NC(=NC(=N2)N2CCCCC2)N2CCCCC2)C(Br)=C(Br)C1=O
InChIKey
InChIKey=ADMBXTIPJQVMAC-BUHFOSPRSA-N
Formula
C21H27Br2N7O2
Mass
569.302
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
Dialkylarylamines 1,3,5-triazine-2,4-diamines Piperidines 1,3,5-triazines Vinylogous halides Heteroaromatic compounds Alpha-haloketones Vinyl bromides Bromoalkenes Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4-diamine-s-triazine - P-quinomethane - Dialkylarylamine - Amino-1,3,5-triazine - Aminotriazine - Piperidine - 1,3,5-triazine - Triazine - Alpha-haloketone - Heteroaromatic compound - Vinylogous halide - Azacycle - Bromoalkene - Vinyl bromide - Vinyl halide - Haloalkene - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Amine - Organic nitrogen compound - Organic oxide - Hydrazine derivative - Organohalogen 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