Compound Identification
SMILES
CN1C2=C(N(CC(O)COC3=CC=C(C=C3)[N+]([O-])=O)C(OC(=O)C3=CC=CC=C3)=N2)C(=O)NC1=O
InChIKey
InChIKey=QFAAKLHXFRMFHA-UHFFFAOYSA-N
Formula
C22H19N5O8
Mass
481.421
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
Nitrophenyl ethers 6-oxopurines Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Nitroaromatic compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Lactams Ureas Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Nitrophenyl ether - 6-oxopurine - Purinone - Benzoate ester - Nitrobenzene - Alkaloid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Phenol ether - Benzoyl - Pyrimidone - Alkyl aryl ether - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Urea - Secondary alcohol - C-nitro compound - Organic nitro compound - Lactam - Carboxylic acid ester - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Ether - Organic zwitterion - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - 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