Compound Identification
SMILES
CCCN1C2=N\C(N=C2C(=O)N(CCC)C1=O)=C1\C=C(NC(=O)CC2=CC(OC)=C(OCC3=CC=CC=C3)C=C2)NN1C
InChIKey
InChIKey=XLASEAVQAAIKTF-SLMZUGIISA-N
Formula
C31H35N7O5
Mass
585.665
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
-
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
Purinones Phenylacetamides Alkaloids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyrimidones Imidolactams Vinylogous amides Pyrazolines Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Ketene acetals Azacyclic compounds Alkylhydrazines Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Purinone - Phenylacetamide - Alkaloid or derivatives - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Imidolactam - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Pyrazoline - Urea - Secondary carboxylic acid amide - Carboxamide group - Ketene acetal or derivatives - Lactam - Azacycle - Carboxylic acid derivative - Ether - Alkylhydrazine - Hydrazine derivative - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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