[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 2-bromanyl-4-fluoranyl-benzoate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 2-bromanyl-4-fluoranyl-benzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C11H9BrFN5O2 MolecularWeight: 342.123863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Br)C(=O)OCC2=NC(=NC(=N2)N)N

Isomeric SMILES

C1=CC(=C(C=C1F)Br)C(=O)OCC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C11H9BrFN5O2/c12-7-3-5(13)1-2-6(7)9(19)20-4-8-16-10(14)18-11(15)17-8/h1-3H,4H2,(H4,14,15,16,17,18)