Compound Identification
SMILES
COCC(NCC1=CC=C(C=C1)C1=NC2=C(N1)C(=O)N(CC1CCCCC1)C(=O)N2CC1CCCCC1)OCCOCCOCCOCCOCCOCCOCCOCCO
InChIKey
InChIKey=SJIOGWKPTZUHGR-UHFFFAOYSA-N
Formula
C45H73N5O12
Mass
876.102
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
Phenylimidazoles Polyethylene glycols 6-oxopurines Alkaloids and derivatives Pyrimidones Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Ureas Lactams Hemiaminals Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Polyethylene glycol - Alkaloid or derivatives - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Hemiaminal - Urea - Ether - Dialkyl ether - Azacycle - Hydrocarbon derivative - Primary alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Organic nitrogen 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