Compound Identification
SMILES
CC(OC(=O)C1=C(C)C=CN=C1C)C1=NC2=C(N1C)C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=DEAMEAMTJAWKPP-UHFFFAOYSA-N
Formula
C18H21N5O4
Mass
371.397
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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 Pyridinecarboxylic acids Pyrimidones Methylpyridines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Ureas Azacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Alkaloid or derivatives - Methylpyridine - Pyrimidone - N-substituted imidazole - Pyridine - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Vinylogous amide - Lactam - Carboxylic acid ester - Urea - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen 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