Compound Identification
SMILES
CC1=C(NC2=NC(=NC(=C2)C(F)(F)F)C2=CN=CC=C2)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=XPKZEUYTQPGGFB-UHFFFAOYSA-N
Formula
C17H12F3N5O2
Mass
375.311
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyridinylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinylpyrimidines
Alternative Parents
Nitrobenzenes Nitrotoluenes Aniline and substituted anilines Nitroaromatic compounds Aminopyrimidines and derivatives Pyridines and derivatives Imidolactams Heteroaromatic compounds Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Organic salts Organic zwitterions Organofluorides Hydrocarbon derivatives Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridinylpyrimidine - Nitrotoluene - Nitrobenzene - Aniline or substituted anilines - Nitroaromatic compound - Aminopyrimidine - Toluene - Imidolactam - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Secondary amine - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Alkyl fluoride - Organic zwitterion - Organonitrogen compound - Organofluoride - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.
External Descriptors
Not available