Compound Identification
SMILES
CN1C2=C(C(=O)N(CC=NNC3=CC=C(C=C3)C(O)=O)C1=O)[N+](C)=CN2
InChIKey
InChIKey=OHRALWIAHLHYGZ-UHFFFAOYSA-O
Formula
C16H17N6O4
Mass
357.349
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 Alkaloids and derivatives Benzoic acids Phenylhydrazines Benzoyl derivatives Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Carboxylic acids Azacyclic compounds Hydrazones Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Benzoic acid or derivatives - Benzoic acid - Alkaloid or derivatives - Benzoyl - Phenylhydrazine - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Urea - Lactam - Azacycle - Carboxylic acid derivative - Hydrazone - Carboxylic acid - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic cation - 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