Compound Identification
SMILES
CN1C2=C(N(CC(O)COC3=CC4=CC=CC=C4C=C3)C(=N2)N2CCOCC2)C(=O)NC1=O
InChIKey
InChIKey=ZHGRSWTUEODVFP-UHFFFAOYSA-N
Formula
C23H25N5O5
Mass
451.483
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
-
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 Naphthalenes Alkaloids and derivatives Dialkylarylamines Pyrimidones Alkyl aryl ethers N-substituted imidazoles Morpholines Aminoimidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Naphthalene - Purinone - Alkaloid or derivatives - Dialkylarylamine - Alkyl aryl ether - Pyrimidone - Aminoimidazole - Morpholine - N-substituted imidazole - Oxazinane - Pyrimidine - Benzenoid - Vinylogous amide - Azole - Heteroaromatic compound - Imidazole - Secondary alcohol - Urea - Lactam - Azacycle - Oxacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - 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