Compound Identification
SMILES
CN1C2=C(N3C(=N2)N(C)CC2=CC=CC=C2C3=O)C(=O)N(C)C1=O
InChIKey
InChIKey=CRIYIDOUAYTIQY-UHFFFAOYSA-N
Formula
C16H15N5O3
Mass
325.328
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
Benzodiazepines 6-oxopurines Alkaloids and derivatives Dialkylarylamines Pyrimidones 1,3-diazepines N-acylimidazoles Benzenoids Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Dialkylarylamine - Meta-diazepine - N-acylimidazole - Pyrimidone - Benzenoid - Pyrimidine - N-substituted imidazole - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Lactam - Azacycle - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - 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