Compound Identification
SMILES
CCCC1=C(O)N(CC2=CC=C(OC(C)=O)C=C2)C2=NC3=C(N2C1=O)C(=O)N(C)C(=O)N3C
InChIKey
InChIKey=UVBVRNIPGKXXNY-UHFFFAOYSA-N
Formula
C22H23N5O6
Mass
453.455
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
Phenol esters 6-oxopurines Imidazo[1,2-a]pyrimidines Alkaloids and derivatives Phenoxy compounds Pyrimidones Hydroxypyrimidines N-substituted imidazoles Vinylogous amides Vinylogous acids Heteroaromatic compounds Ureas Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Purinone - Phenol ester - 6-oxopurine - Imidazo[1,2-a]pyrimidine - Alkaloid or derivatives - Phenoxy compound - Hydroxypyrimidine - Pyrimidone - Benzenoid - Pyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Imidazole - Azole - Urea - Lactam - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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