Compound Identification
SMILES
COC1=CC=CC(CN2C(OC3=CC=C(Br)C=C3)=NC3=C2C(=O)N(C)C(=O)N3C)=C1
InChIKey
InChIKey=ZFWNGNMFOPMKAN-UHFFFAOYSA-N
Formula
C21H19BrN4O4
Mass
471.311
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 Methoxybenzenes Anisoles Pyrimidones Alkyl aryl ethers Bromobenzenes N-substituted imidazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Pyrimidone - Bromobenzene - Alkyl aryl ether - Halobenzene - Benzenoid - Aryl bromide - Pyrimidine - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Lactam - Ether - Azacycle - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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