Compound Identification
SMILES
CN1C2=C(N(CC3=CC(=C(O)C=C3)[N+]([O-])=O)C=N2)C(=O)NC1=O
InChIKey
InChIKey=TXDORFLIALFVTL-UHFFFAOYSA-N
Formula
C13H11N5O5
Mass
317.261
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 Nitrophenols Alkaloids and derivatives Nitrobenzenes Nitroaromatic compounds Pyrimidones 1-hydroxy-2-unsubstituted benzenoids N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Nitrophenol - Purinone - Nitrobenzene - Alkaloid or derivatives - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyrimidone - N-substituted imidazole - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Imidazole - Azole - Heteroaromatic compound - C-nitro compound - Lactam - Organic nitro compound - Urea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - 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