Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyridinylpyrimidines

Alternative Parents

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

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