Compound Identification
SMILES
CC1OC(N2C=NC3=C2N(C)C(=O)N(C)C3=O)C(=O)C(Br)=C1
InChIKey
InChIKey=YRHNWQFYEBZVGE-UHFFFAOYSA-N
Formula
C13H13BrN4O4
Mass
369.175
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Xanthines
-
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 Dihydropyranones N-substituted imidazoles Vinylogous amides Alpha-haloketones Heteroaromatic compounds Ureas Cyclic ketones Lactams Vinyl bromides Oxacyclic compounds Azacyclic compounds Bromoalkenes Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Dihydropyranone - Pyrimidone - N-substituted imidazole - Pyran - Pyrimidine - Heteroaromatic compound - Imidazole - Vinylogous amide - Alpha-haloketone - Azole - Cyclic ketone - Ketone - Lactam - Urea - Oxacycle - Azacycle - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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