Compound Identification
SMILES
CCN1C=NC2=C1C(=O)N(CC1=CC(=O)OC3=CC(C)=C(C=C13)C(C)C)C(=O)N2CC1=CC=CC=C1
InChIKey
InChIKey=GIXPUMXUPZJGKI-UHFFFAOYSA-N
Formula
C28H28N4O4
Mass
484.556
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
Coumarins and derivatives 1-benzopyrans 6-oxopurines Alkaloids and derivatives Cumenes Pyrimidones Pyranones and derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactones Lactams Azacyclic compounds Oxacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Xanthine - 6-oxopurine - Benzopyran - Purinone - 1-benzopyran - Cumene - Alkaloid or derivatives - Pyranone - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Pyran - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Lactone - Lactam - Urea - Oxacycle - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen 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