Compound Identification
SMILES
FC1=CC(=C(CSC2=NC(=O)NC3=C2NC=N3)C=C1)C(F)(F)F
InChIKey
InChIKey=FMOVYJLNLUSSHR-UHFFFAOYSA-N
Formula
C13H8F4N4OS
Mass
344.29
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 Purinones
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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
Purinones
Alternative Parents
Trifluoromethylbenzenes 6-thiopurines Pyrimidones Alkylarylthioethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Imidazoles Sulfenyl compounds Azacyclic compounds Organofluorides Organonitrogen compounds Alkyl fluorides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purinone - Trifluoromethylbenzene - 6-thiopurine - Aryl thioether - Fluorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Azacycle - Thioether - Sulfenyl compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Alkyl halide - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available