Compound Identification
SMILES
CCCN1C(=O)N(CC)C2=C(NC(=N2)C2=CN(CC#CC3=CC(F)=CC=C3)N=C2)C1=O
InChIKey
InChIKey=IAFJJWGGCXRXTJ-UHFFFAOYSA-N
Formula
C22H21FN6O2
Mass
420.448
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 Pyrimidones Fluorobenzenes Aryl fluorides Vinylogous amides Pyrazoles Heteroaromatic compounds Imidazoles Ureas Lactams Azacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Fluorobenzene - Halobenzene - Pyrimidone - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Aryl fluoride - Benzenoid - Vinylogous amide - Azole - Heteroaromatic compound - Imidazole - Pyrazole - Lactam - Urea - Azacycle - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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