N-[3-[(5-bromanylpyrimidin-2-yl)amino]propyl]-2-fluoranyl-5-nitro-benzamide

Systemtic Name: N-[3-[(5-bromanylpyrimidin-2-yl)amino]propyl]-2-fluoranyl-5-nitro-benzamide Openeye Name: N-[3-[(5-bromopyrimidin-2-yl)amino]propyl]-2-fluoro-5-nitro-benzamide CAS Name: N-[3-[(5-bromo-2-pyrimidinyl)amino]propyl]-2-fluoro-5-nitrobenzamide IUPAC Name: N-[3-[(5-bromopyrimidin-2-yl)amino]propyl]-2-fluoro-5-nitrobenzamide Traditional Name: N-[3-[(5-bromopyrimidin-2-yl)amino]propyl]-2-fluoro-5-nitro-benzamide Formula: C14H13BrFN5O3 MolecularWeight: 398.187123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCCCNC2=NC=C(C=N2)Br)F

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCCCNC2=NC=C(C=N2)Br)F

InChI

InChI=1S/C14H13BrFN5O3/c15-9-7-19-14(20-8-9)18-5-1-4-17-13(22)11-6-10(21(23)24)2-3-12(11)16/h2-3,6-8H,1,4-5H2,(H,17,22)(H,18,19,20)