Compound Identification
SMILES
CCCCN1C2=C(N(CCC(C)C)C(CNC3=C(C)C=C(F)C=C3)=N2)C(=O)NC1=O
InChIKey
InChIKey=IVKIUMJWGJBIJR-UHFFFAOYSA-N
Formula
C22H30FN5O2
Mass
415.513
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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 Phenylalkylamines Aminotoluenes Aniline and substituted anilines Secondary alkylarylamines Pyrimidones Fluorobenzenes N-substituted imidazoles Aryl fluorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organooxygen compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Fluorobenzene - Halobenzene - Pyrimidone - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Aryl halide - Aryl fluoride - Pyrimidine - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Urea - Lactam - Azacycle - Secondary amine - Organic oxide - Organohalogen compound - Amine - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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