Compound Identification
SMILES
CN1C(OC2=CC=C(Br)C=C2)=NC2=C1C(=O)N(CC1=CC=CC=C1)C(=O)N2C
InChIKey
InChIKey=LENWFWJDRCQGNK-UHFFFAOYSA-N
Formula
C20H17BrN4O3
Mass
441.285
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
Diarylethers 6-oxopurines Alkaloids and derivatives Phenoxy compounds Phenol ethers Bromobenzenes Pyrimidones N-substituted imidazoles Aryl bromides Heteroaromatic compounds Vinylogous amides Lactams Ureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Halobenzene - Bromobenzene - Pyrimidone - Pyrimidine - Aryl halide - N-substituted imidazole - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Vinylogous amide - Urea - Lactam - Azacycle - Ether - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen compound - 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