Compound Identification
SMILES
[Br-].CC(=O)NCCN1C2=C(C=C(C)C(C)=C2)N=C2C(=O)N(CC[N+](C)(C)C)C(=O)N=C12
InChIKey
InChIKey=KZYBYQLUTXUSAU-UHFFFAOYSA-N
Formula
C21H29BrN6O3
Mass
493.406
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pteridines and derivatives
-
Subclass
Alloxazines and isoalloxazines
- Level 5 Flavins
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Subclass
Alloxazines and isoalloxazines
-
Class
Pteridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pteridines and derivatives
Subclass
Alloxazines and isoalloxazines
Intermediate Tree Nodes
Not available
Direct Parent
Flavins
Alternative Parents
N-acetyl-2-arylethylamines Quinoxalines Pyrimidones Pyrazines Benzenoids Vinylogous amides Tetraalkylammonium salts Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavin - N-acetyl-2-arylethylamine - Diazanaphthalene - Quinoxaline - Pyrimidone - Benzenoid - Pyrimidine - Pyrazine - Tetraalkylammonium salt - Heteroaromatic compound - Acetamide - Vinylogous amide - Quaternary ammonium salt - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavins. These are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, with a structure characterized by an isoalloaxzine tricyclic ring.
External Descriptors
Not available