N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-pyrimidinylamino)benzamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-3-(2-pyrimidylamino)benzamide Formula: C18H14BrFN4O MolecularWeight: 401.232363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC=N2)C(=O)NCC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC=N2)C(=O)NCC3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C18H14BrFN4O/c19-14-5-6-16(20)13(9-14)11-23-17(25)12-3-1-4-15(10-12)24-18-21-7-2-8-22-18/h1-10H,11H2,(H,23,25)(H,21,22,24)