Compound Identification
SMILES
CCCCCN1C(C[NH+]2CCCC[C@@H]2C)=NC2=C1C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=SGXJWRAKXCAFPR-AWEZNQCLSA-O
Formula
C19H32N5O2
Mass
362.497
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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 Alkaloids and derivatives Aralkylamines Pyrimidones N-substituted imidazoles Piperidines Vinylogous amides Heteroaromatic compounds Quaternary ammonium salts Trialkylamines Lactams Ureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aralkylamine - Pyrimidone - N-substituted imidazole - Piperidine - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Quaternary ammonium salt - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organic cation - 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