Compound Identification
SMILES
CN1C2=C(N(CC(O)CO)C(NN=CC3=CC(=CC=C3)[N+]([O-])=O)=N2)C(=O)NC1=O
InChIKey
InChIKey=PTLRDVACQVQHML-UHFFFAOYSA-N
Formula
C16H17N7O6
Mass
403.355
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 Alkaloids and derivatives Nitrobenzenes Nitroaromatic compounds Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols 1,2-diols Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrazones Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Nitrobenzene - Alkaloid or derivatives - Nitroaromatic compound - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Urea - Secondary alcohol - Organic nitro compound - 1,2-diol - Lactam - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Hydrazone - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Primary alcohol - Organic salt - Alcohol - 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