Compound Identification
SMILES
COC(=O)C1=CC=CC=C1NC1=NC2=C(N1)C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=BHJBHTAELWJRIV-UHFFFAOYSA-N
Formula
C15H15N5O4
Mass
329.316
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
6-oxopurines Benzoic acid esters Alkaloids and derivatives Aniline and substituted anilines Benzoyl derivatives Pyrimidones Aminoimidazoles Vinylogous amides Methyl esters Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organic oxides Organooxygen compounds Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Benzoate ester - Purinone - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Aniline or substituted anilines - Pyrimidone - Monocyclic benzene moiety - Aminoimidazole - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azole - Methyl ester - Imidazole - Carboxylic acid ester - Lactam - Urea - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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