Compound Identification
SMILES
CCCCN1C(C[NH+]2CCN(CC2)C(=O)OCC)=NC2=C1C(=O)NC(=O)N2C
InChIKey
InChIKey=ULKFFEYQYSHSHH-UHFFFAOYSA-O
Formula
C18H29N6O4
Mass
393.467
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 Alkaloids and derivatives Piperazine carboxylic acids Aralkylamines N-alkylpiperazines Pyrimidones N-substituted imidazoles Heteroaromatic compounds Carbamate esters Vinylogous amides Quaternary ammonium salts Ureas Lactams Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Piperazine-1-carboxylic acid - Alkaloid or derivatives - Aralkylamine - Pyrimidone - N-alkylpiperazine - 1,4-diazinane - N-substituted imidazole - Piperazine - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Quaternary ammonium salt - Carbamic acid ester - Lactam - Tertiary amine - Tertiary aliphatic amine - Urea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Carbonyl group - 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