Compound Identification
SMILES
CCCN1C2=C(NC(=N2)C2=CN=C(C=C2)N(CCN2CCCCC2)C(=O)C2=CN=CC=C2)C(=O)N(C2CC2)C1=O
InChIKey
InChIKey=XVODBXXWRFVSDB-UHFFFAOYSA-N
Formula
C29H34N8O3
Mass
542.644
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
6-oxopurines Alkaloids and derivatives Nicotinamides Pyrimidones Piperidines Imidolactams Vinylogous amides Imidazoles Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Lactams Amino acids and derivatives Ureas Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Alkaloid or derivatives - Pyrimidone - Piperidine - Pyridine - Pyrimidine - Imidolactam - Tertiary carboxylic acid amide - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Tertiary amine - Urea - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Lactam - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - 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