Compound Identification
SMILES
CCCN1C2=C(NC(=N2)C2=CN=C(C=C2)N(CCN2CCOCC2)C(=O)C2=CN=CC=C2)C(=O)N(C2CC2)C1=O
InChIKey
InChIKey=SFKYJARCXIZGGJ-UHFFFAOYSA-N
Formula
C28H32N8O4
Mass
544.616
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 Nicotinamides Pyrimidones Morpholines Imidolactams Vinylogous amides Tertiary carboxylic acid amides Imidazoles Heteroaromatic compounds Ureas Trialkylamines Lactams Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers 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 - Morpholine - Oxazinane - Pyridine - Pyrimidine - Imidolactam - Tertiary carboxylic acid amide - Vinylogous amide - Azole - Heteroaromatic compound - Imidazole - Tertiary amine - Amino acid or derivatives - Urea - Tertiary aliphatic amine - Carboxamide group - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen 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