Compound Identification
SMILES
CC(C)OCC(O)CN1C(NN=CC(Br)=CC2=CC=CC=C2)=NC2=C1C(=O)NC(=O)N2C
InChIKey
InChIKey=CKJYQBGUVAJYCR-UHFFFAOYSA-N
Formula
C21H25BrN6O4
Mass
505.373
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Xanthines
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Subclass
Purines and purine derivatives
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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 Benzene and substituted derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols Lactams Hydrazones Dialkyl ethers Bromoalkenes Vinyl bromides Azacyclic compounds Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Urea - Secondary alcohol - Lactam - Vinyl bromide - Azacycle - Haloalkene - Bromoalkene - Vinyl halide - Dialkyl ether - Ether - Hydrazone - Organic nitrogen compound - Organic oxide - Alcohol - Organohalogen compound - Organobromide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - 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