Compound Identification
SMILES
CC(C)C1=CC=C(C=C1)N1C2=NC3=C(N2C=C1C1=CC2=C(OCO2)C=C1)C(=O)N(C)C(=O)N3C
InChIKey
InChIKey=DUOUUCNGFDEJIU-UHFFFAOYSA-N
Formula
C25H23N5O4
Mass
457.49
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Phenylimidazoles 6-oxopurines Alkaloids and derivatives Phenylpropanes Benzodioxoles Cumenes Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams Ureas Oxacyclic compounds Azacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Benzodioxole - Cumene - Phenylpropane - Alkaloid or derivatives - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Acetal - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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