Compound Identification
SMILES
CCCCN1C=NC2=C1C(=O)N(CC(=O)C1=C(C)N(C)C(C)=C1)C(=O)N2CC(C)C
InChIKey
InChIKey=ZSAPLABNWADMNE-UHFFFAOYSA-N
Formula
C22H31N5O3
Mass
413.522
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 Aryl alkyl ketones Pyrimidones N-substituted imidazoles N-methylpyrroles Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl alkyl ketone - Aryl ketone - Pyrimidone - N-methylpyrrole - N-substituted imidazole - Pyrimidine - Substituted pyrrole - Azole - Imidazole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Lactam - Ketone - Urea - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - 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