Compound Identification
SMILES
CCOC1=CC=C(NC(C)=O)C=C1.CC(=O)OC1=CC=CC=C1C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=PITMOJXAHYPVLG-UHFFFAOYSA-N
Formula
C27H31N5O8
Mass
553.572
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 Acetanilides Alkaloids and derivatives N-acetylarylamines Phenoxy compounds Phenol ethers Pyrimidones Alkyl aryl ethers N-substituted imidazoles Dicarboxylic acids and derivatives Vinylogous amides Acetamides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Xanthine - 6-oxopurine - Acetanilide - Purinone - N-acetylarylamine - Anilide - Alkaloid or derivatives - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Pyrimidone - Dicarboxylic acid or derivatives - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Pyrimidine - Vinylogous amide - Imidazole - Heteroaromatic compound - Azole - Acetamide - Carboxamide group - Lactam - Urea - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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