Compound Identification
SMILES
CCN(CC)C1=NC2=C(N1CC(O)COC1=CC=CC=C1C)C(=O)NC(=O)N2C
InChIKey
InChIKey=KXIPGNJCYVVSAD-UHFFFAOYSA-N
Formula
C20H27N5O4
Mass
401.467
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
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 Phenoxy compounds Phenol ethers Dialkylarylamines Toluenes Alkyl aryl ethers Pyrimidones Aminoimidazoles N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Secondary alcohols Lactams Ureas Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Pyrimidone - Toluene - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Urea - Secondary alcohol - Lactam - Ether - Azacycle - Organic nitrogen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen 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