Compound Identification
SMILES
O.CCCN1C2=C(NC(\C=C\C3=CC4=C(OCO4)C=C3)=N2)C(=O)N(CCC)C1=O
InChIKey
InChIKey=AVSAXRTUAHMRHZ-WVLIHFOGSA-N
Formula
C20H24N4O5
Mass
400.435
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
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 Benzodioxoles Styrenes Pyrimidones Vinylogous amides Heteroaromatic compounds Imidazoles Ureas Lactams Azacyclic compounds Oxacyclic compounds Acetals Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Benzodioxole - Alkaloid or derivatives - Styrene - Pyrimidone - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Oxacycle - Azacycle - Acetal - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen 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