Compound Identification
SMILES
OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2C1=NC(NC1=CC=CC(=C1)C(F)(F)F)=NC2=O
InChIKey
InChIKey=IBJFGVYDLOGAQY-VCKSIFHUSA-N
Formula
C17H16F3N5O4
Mass
411.341
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 6-oxopurines
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Level 5
Purinones
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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
Purinones
Direct Parent
6-oxopurines
Alternative Parents
Trifluoromethylbenzenes Alpha amino acids and derivatives Pentoses Aniline and substituted anilines Pyrimidones Aminopyrimidines and derivatives Hydropyrimidines Imidolactams Oxolanes Imidazolines N-acylimines Secondary alcohols Oxacyclic compounds Formamidines Carboximidamides Carboxamidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Primary alcohols Amines Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-oxopurine - Alpha-amino acid or derivatives - Pentose monosaccharide - Trifluoromethylbenzene - Aniline or substituted anilines - Aminopyrimidine - Pyrimidone - Hydropyrimidine - 5,6-dihydropyrimidine - Pyrimidine - Imidolactam - Monosaccharide - Benzenoid - Monocyclic benzene moiety - 2-imidazoline - Oxolane - N-acylimine - Secondary alcohol - Formamidine - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxide - Alcohol - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6-oxopurines. These are purines that carry a C=O group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available