Compound Identification
SMILES
CN1C2=C(N(CC(N)=O)C(C[NH+]3CCCCC3)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=IDDIPTARYXBIOE-UHFFFAOYSA-O
Formula
C15H23N6O3
Mass
335.387
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 Pyrimidones Aralkylamines Piperidines N-substituted imidazoles Vinylogous amides Quaternary ammonium salts Heteroaromatic compounds Ureas Trialkylamines Amino acids and derivatives Primary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Aralkylamine - N-substituted imidazole - Piperidine - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Quaternary ammonium salt - Vinylogous amide - Urea - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Lactam - Primary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen 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