Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C(=O)NC1=CC=[N+](CCCN2C=NC3=C2C(=O)N(C)C(=O)N3C)C=C1
InChIKey
InChIKey=NWHQNQZTBZDGFN-UHFFFAOYSA-O
Formula
C25H29N6O6
Mass
509.542
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 Benzamides Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrimidones N-substituted imidazoles Pyridinium derivatives Heteroaromatic compounds Vinylogous amides Lactams Ureas Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Methoxybenzene - Anisole - Alkyl aryl ether - Pyrimidone - N-substituted imidazole - Pyridinium - Benzenoid - Pyrimidine - Pyridine - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Lactam - Carboxamide group - Urea - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - 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