Compound Identification
SMILES
CC1(C)O[C@@H]2[C@@H](CF)O[C@H]([C@@H]2O1)N1C=NC2=C1N=C(F)N=C2OCC1=CC=CC=C1
InChIKey
InChIKey=SMKKOAOGDBJNKT-SCFUHWHPSA-N
Formula
C20H20F2N4O4
Mass
418.401
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
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Level 5
Purinones
- Level 6 Hypoxanthines
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Level 5
Purinones
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Subclass
Purines and purine derivatives
-
Class
Imidazopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Purinones
Direct Parent
Hypoxanthines
Alternative Parents
2-halopyrimidines Alkyl aryl ethers Ketals N-substituted imidazoles Monosaccharides Aryl fluorides Benzene and substituted derivatives Oxolanes 1,3-dioxolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hypoxanthine - Halopyrimidine - Ketal - 2-halopyrimidine - Alkyl aryl ether - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - N-substituted imidazole - Monosaccharide - Aryl fluoride - Heteroaromatic compound - Azole - Oxolane - Imidazole - Meta-dioxolane - Acetal - Oxacycle - Azacycle - Ether - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available