Compound Identification
SMILES
CN1C2=C(N(CCN[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-UKRRQHHQSA-N
Formula
C18H22N6O6
Mass
418.41
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 Heteroaromatic compounds Ureas Secondary alcohols 1,2-aminoalcohols Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylamines Organic oxoazanium compounds Primary alcohols Aromatic alcohols Organic zwitterions Organic salts Hydrocarbon derivatives Organic oxides
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 - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - 1,2-aminoalcohol - Lactam - C-nitro compound - Urea - Organic nitro compound - Secondary alcohol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Organic oxoazanium - Azacycle - Secondary amine - Hydrocarbon derivative - Amine - Organic oxide - Aromatic alcohol - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - Organic zwitterion - Organic oxygen 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