Compound Identification
SMILES
OCC1OC(C(O)C1O)N1C=NC23OC12N=C(O)N=C3O
InChIKey
InChIKey=FMUSHVVGYGXRCD-UHFFFAOYSA-N
Formula
C10H12N4O7
Mass
300.227
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
Glycosylamines Pentoses Alkaloids and derivatives Hydropyrimidines Tetrahydrofurans Imidazolines Orthocarboxylic acid derivatives Secondary alcohols Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Formamidines Epoxides Carboximidamides Carboxamidines Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Glycosyl compound - N-glycosyl compound - Xanthine - Pentose monosaccharide - Alkaloid or derivatives - Hydropyrimidine - 5,6-dihydropyrimidine - Monosaccharide - Tetrahydrofuran - 2-imidazoline - Secondary alcohol - Orthocarboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Oxacycle - Azacycle - Carboxylic acid amidine - Oxirane - Formamidine - Amidine - Organopnictogen compound - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Aliphatic 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