Compound Identification
SMILES
CCCN1C2=C(NC(=N2)C2=NN=C(OCC(=O)NC3=CC=C(I)C=C3)C=C2)C(=O)N(CCC)C1=O
InChIKey
InChIKey=ANRXJTQUUKQYBV-UHFFFAOYSA-N
Formula
C23H24IN7O4
Mass
589.394
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 Anilides N-arylamides Pyrimidones Alkyl aryl ethers Iodobenzenes Pyridazines and derivatives Aryl iodides Vinylogous amides Imidazoles Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Anilide - N-arylamide - Alkyl aryl ether - Halobenzene - Iodobenzene - Pyrimidone - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Pyridazine - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Secondary carboxylic acid amide - Urea - Carboxamide group - Lactam - Carboxylic acid derivative - Ether - Azacycle - Organoiodide - Organonitrogen compound - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Organopnictogen 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