Compound Identification
SMILES
CN1C2=C(C(=O)N(C)C1=O)[N+](CC([O-])=O)=C(NCC1=CC=CC=C1)N2
InChIKey
InChIKey=YOLZAJAWBCMJAB-UHFFFAOYSA-N
Formula
C16H17N5O4
Mass
343.343
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 Alpha amino acids and derivatives Alkaloids and derivatives Benzylamines Pyrimidones N-substituted imidazoles Aminoimidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organic salts Organic zwitterions Amines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Alpha-amino acid or derivatives - Purinone - Alkaloid or derivatives - Benzylamine - Pyrimidone - N-substituted imidazole - Aminoimidazole - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Carboxylic acid salt - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen 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