Compound Identification
SMILES
CCCN1C2=C(N(CCN3CCOCC3)C(=N2)C2=CC3=C(OCCO3)C=C2)C(=O)NC1=O
InChIKey
InChIKey=BGOUTWGGXUVGMQ-UHFFFAOYSA-N
Formula
C22H27N5O5
Mass
441.488
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 Benzo-1,4-dioxanes Alkaloids and derivatives Alkyl aryl ethers Pyrimidones Benzenoids Para dioxins Morpholines N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Trialkylamines Lactams Ureas Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Benzo-1,4-dioxane - Benzodioxane - Purinone - Alkaloid or derivatives - Alkyl aryl ether - Pyrimidone - Morpholine - N-substituted imidazole - Oxazinane - Para-dioxin - Benzenoid - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Tertiary aliphatic amine - Urea - Lactam - Azacycle - Oxacycle - Dialkyl ether - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Amine - Organonitrogen 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