6-[2-(4-fluorophenyl)ethynyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[2-(4-fluorophenyl)ethynyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-[2-(4-fluorophenyl)ethynyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[2-(4-fluorophenyl)ethynyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[2-(4-fluorophenyl)ethynyl]-5-nitropyrimidin-4-amine Traditional Name: [6-[2-(4-fluorophenyl)ethynyl]-5-nitro-pyrimidin-4-yl]amine Formula: C12H7FN4O2 MolecularWeight: 258.207983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=C(C(=NC=N2)N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C#CC2=C(C(=NC=N2)N)[N+](=O)[O-])F

InChI

InChI=1S/C12H7FN4O2/c13-9-4-1-8(2-5-9)3-6-10-11(17(18)19)12(14)16-7-15-10/h1-2,4-5,7H,(H2,14,15,16)