Compound Identification
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1C2=C(N(CCN(CCO)CCO)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=JYMDAVPCRQCKBG-LREBCSMRSA-N
Formula
C17H27N5O10
Mass
461.428
Taxonomic Classification
Taxonomy Tree
-
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 Dicarboxylic acids and derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams 1,2-aminoalcohols Ureas Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Not available
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Dicarboxylic acid or derivatives - N-substituted imidazole - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Lactam - Azacycle - Alkanolamine - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxygen compound - Amine - Alcohol - Hydrocarbon derivative - Organopnictogen compound - 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