Compound Identification
SMILES
OC[C@@H](O)[C@H]1OC(ON2C(=NC3=C2C(=O)NC(=O)N3)[N+]([O-])=O)[C@H](O)[C@H]1O
InChIKey
InChIKey=AYUNXVPZCRMKOA-HDYHFRTFSA-N
Formula
C11H13N5O10
Mass
375.25
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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 Pentoses Alkaloids and derivatives Nitroaromatic compounds Pyrimidones N-substituted imidazoles Vinylogous amides Oxolanes Heteroaromatic compounds Ureas Secondary alcohols Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Pentose monosaccharide - Purinone - Alkaloid or derivatives - Nitroaromatic compound - Pyrimidone - Monosaccharide - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Oxolane - Vinylogous amide - Lactam - C-nitro compound - Organic nitro compound - Secondary alcohol - Urea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic zwitterion - Primary alcohol - Organic salt - Organic nitrogen 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