Compound Identification
SMILES
CC(C)(N)CO.CN1C2=C(NC(Br)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=ATOTUUBRFJHZQG-UHFFFAOYSA-N
Formula
C11H18BrN5O3
Mass
348.201
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Xanthines
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Subclass
Purines and purine derivatives
-
Class
Imidazopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Xanthines
Alternative Parents
6-oxopurines Alkaloids and derivatives Pyrimidones Aryl bromides Vinylogous amides Heteroaromatic compounds Imidazoles Ureas 1,2-aminoalcohols Lactams Azacyclic compounds Monoalkylamines Primary alcohols Organic oxides Organobromides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Aryl bromide - Aryl halide - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Urea - 1,2-aminoalcohol - Lactam - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Primary alcohol - Organic nitrogen compound - Primary amine - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors
Not available