Compound Identification
SMILES
CN1C2=C(NC(C[NH+]3CC[NH+](C)CC3)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=KVYOGLSVXQQNHA-UHFFFAOYSA-P
Formula
C13H22N6O2
Mass
294.358
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 N-methylpiperazines Pyrimidones Imidazoles Heteroaromatic compounds Vinylogous amides Quaternary ammonium salts Ureas Lactams Trialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - Pyrimidone - 1,4-diazinane - Piperazine - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Quaternary ammonium salt - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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