Compound Identification
SMILES
CCCN1C(=O)N(CC2=CC(I)=C(N)C=C2)C2=C(NC(=N2)C2=CC=C(OCC(O)=O)C=C2)C1=O
InChIKey
InChIKey=DKJMGIXWGPEEFF-UHFFFAOYSA-N
Formula
C23H22IN5O5
Mass
575.363
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
Phenylimidazoles Phenoxyacetic acid derivatives 6-oxopurines Alkaloids and derivatives Phenoxy compounds Phenol ethers Aniline and substituted anilines Pyrimidones Alkyl aryl ethers Iodobenzenes Aryl iodides Vinylogous amides Heteroaromatic compounds Ureas Amino acids Lactams Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organoiodides Primary amines Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - 2-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Iodobenzene - Halobenzene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Pyrimidine - Benzenoid - Azole - Vinylogous amide - Imidazole - Heteroaromatic compound - Amino acid - Lactam - Urea - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen 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