Compound Identification
SMILES
CN1C2=C(N(CC(COC3=CC=C(C=C3)[N+]([O-])=O)OC(C)=O)C(=N2)N2CCOCC2)C(=O)NC1=O
InChIKey
InChIKey=QVFXHHVGRIDFNQ-UHFFFAOYSA-N
Formula
C21H24N6O8
Mass
488.457
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 Alkaloids and derivatives Nitroaromatic compounds Dialkylarylamines Phenol ethers Phenoxy compounds Alkyl aryl ethers Pyrimidones Aminoimidazoles Morpholines N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Carboxylic acid esters Lactams Ureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Dialkyl ethers Monocarboxylic acids and derivatives Organic zwitterions Organopnictogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrophenyl ether - Xanthine - 6-oxopurine - Purinone - Nitrobenzene - Alkaloid or derivatives - Phenoxy compound - Nitroaromatic compound - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Pyrimidone - Aminoimidazole - Monocyclic benzene moiety - Morpholine - N-substituted imidazole - Oxazinane - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Imidazole - Azole - Organic nitro compound - Urea - Carboxylic acid ester - Lactam - C-nitro compound - Azacycle - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organonitrogen 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