Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(S1)N=C(N=C2Cl)C1=CC=NC=C1.[O-][N+](=O)C1=CC2=C(NCC3=CC=C(F)C=C3)N=C(N=C2S1)C1=CC=NC=C1
InChIKey
InChIKey=DFYZXXLFJLGKQI-UHFFFAOYSA-N
Formula
C29H17ClFN9O4S2
Mass
674.08
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
Thienopyrimidines 2-nitrothiophenes 2,3,5-trisubstituted thiophenes Benzylamines Nitroaromatic compounds Secondary alkylarylamines Aminopyrimidines and derivatives Fluorobenzenes Halopyrimidines Pyridines and derivatives Aryl chlorides Aryl fluorides Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organofluorides Organic salts Organic zwitterions Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Pyridinylpyrimidine - 2-nitrothiophene - Nitrothiophene - Thienopyrimidine - Nitroaromatic compound - Benzylamine - 2,3,5-trisubstituted thiophene - Aminopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Thiophene - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Secondary amine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organic salt - Organic zwitterion - Amine - Organonitrogen compound - Aromatic heteropolycyclic 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