Compound Identification
SMILES
[H]C12CN3C4=C(N=CN4C([H])(O1)C([H])(O)C2([H])O)C(O)=NC3=O
InChIKey
InChIKey=ZZCRHLWLBFCBOJ-UHFFFAOYSA-N
Formula
C10H10N4O5
Mass
266.213
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
Purinones Alkaloids and derivatives Pyrimidones Hydroxypyrimidines N-substituted imidazoles Monosaccharides Oxolanes Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Purinone - Alkaloid or derivatives - Pyrimidone - Hydroxypyrimidine - Monosaccharide - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Oxolane - Secondary alcohol - 1,2-diol - Oxacycle - Azacycle - Polyol - Hydrocarbon derivative - Organonitrogen compound - Alcohol - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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