Compound Identification
SMILES
C[C@@H](OC1=CC=C(F)C=C1)C(=O)NNC(=O)CN1C(=O)N(C)C2=C(N(C)C=N2)C1=O
InChIKey
InChIKey=NBOCSUIWYWQAOQ-SNVBAGLBSA-N
Formula
C18H19FN6O5
Mass
418.385
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 Phenoxy compounds Phenol ethers Pyrimidones Alkyl aryl ethers Fluorobenzenes Aryl fluorides N-substituted imidazoles Diacylhydrazines Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Halobenzene - Alkyl aryl ether - Fluorobenzene - Pyrimidone - N-substituted imidazole - Diacylhydrazine - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Urea - Carboxylic acid hydrazide - Lactam - Ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen 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