Compound Identification
SMILES
CN1C2=C(N(CC(O)COC3=CC=CC(C)=C3)C(=N2)N2CCOCC2)C(=O)N(C)C1=O
InChIKey
InChIKey=CGGDKBWWVHAXFU-UHFFFAOYSA-N
Formula
C21H27N5O5
Mass
429.477
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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 Morpholines N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Lactams Ureas Secondary alcohols Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenol ether - Phenoxy compound - Dialkylarylamine - Pyrimidone - Toluene - Alkyl aryl ether - Aminoimidazole - Monocyclic benzene moiety - Morpholine - N-substituted imidazole - Oxazinane - Pyrimidine - Benzenoid - Vinylogous amide - Azole - Heteroaromatic compound - Imidazole - Urea - Secondary alcohol - Lactam - Oxacycle - Ether - Dialkyl ether - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organic oxide - Amine - 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