Compound Identification
SMILES
CN1C2=C(N(CC[NH2+][C@H](CO)[C@@H](O)C3=CC=C(C=C3)[N+]([O-])=O)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=ZZKILQVTUWDOMA-HIFRSBDPSA-O
Formula
C18H23N6O6
Mass
419.417
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 Aralkylamines N-substituted imidazoles Vinylogous amides Quaternary ammonium salts Heteroaromatic compounds Ureas Secondary alcohols 1,2-aminoalcohols Lactams Organic oxoazanium compounds Azacyclic compounds Dialkylamines Organic salts Aromatic alcohols Organic oxides Primary alcohols Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Nitrobenzene - Alkaloid or derivatives - Nitroaromatic compound - Pyrimidone - Aralkylamine - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Azole - Heteroaromatic compound - Quaternary ammonium salt - Imidazole - Organic nitro compound - Urea - 1,2-aminoalcohol - Secondary alcohol - Lactam - C-nitro compound - Azacycle - Secondary amine - Secondary aliphatic amine - Organic oxoazanium - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Amine - Aromatic alcohol - Organic salt - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic cation - 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