Compound Identification
SMILES
CN1C2=C(N(CCCN[C@H]3CO[C@@H]4[C@H](CO[C@H]34)O[N+]([O-])=O)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=XTEGRRHNMFDROI-YRRQLQLVSA-N
Formula
C16H22N6O7
Mass
410.387
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 Furofurans Pyrimidones N-substituted imidazoles Vinylogous amides Oxolanes Alkyl nitrates Heteroaromatic compounds Ureas Organic nitro compounds Organic nitric acids and derivatives Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Dialkylamines Organic oxides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Furofuran - Pyrimidone - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Organic nitrate - Oxolane - Heteroaromatic compound - Vinylogous amide - Alkyl nitrate - Urea - Organic nitro compound - Organic nitric acid or derivatives - Lactam - Azacycle - Secondary amine - Oxacycle - Dialkyl ether - Ether - Secondary aliphatic amine - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organic salt - Organooxygen compound - 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