Compound Identification
SMILES
C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=RLANKEDHRWMNRO-UHFFFAOYSA-M
Formula
C12H21N5O3
Mass
283.332
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Xanthines
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Subclass
Purines and purine derivatives
-
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 Cholines Vinylogous amides Tetraalkylammonium salts Imidazoles Heteroaromatic compounds Ureas 1,2-aminoalcohols Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Primary alcohols
Molecular Framework
Not available
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Choline - Pyrimidone - Pyrimidine - Heteroaromatic compound - Tetraalkylammonium salt - Vinylogous amide - Azole - Quaternary ammonium salt - Imidazole - 1,2-aminoalcohol - Urea - Lactam - Azacycle - Alkanolamine - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic zwitterion - Amine - Organic salt - Alcohol - Hydrocarbon derivative - 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