6-fluoranyl-N-[4-(2-phosphonatoethylsulfonyl)phenyl]-1,4-dihydro-1,3,5-triazin-2-amine

Systemtic Name: 6-fluoranyl-N-[4-(2-phosphonatoethylsulfonyl)phenyl]-1,4-dihydro-1,3,5-triazin-2-amine Openeye Name: 6-fluoro-N-[4-(2-phosphonatoethylsulfonyl)phenyl]-1,4-dihydro-1,3,5-triazin-2-amine CAS Name: 6-fluoro-N-[4-(2-phosphonatoethylsulfonyl)phenyl]-1,4-dihydro-1,3,5-triazin-2-amine IUPAC Name: 6-fluoro-N-[4-(2-phosphonatoethylsulfonyl)phenyl]-1,4-dihydro-1,3,5-triazin-2-amine Traditional Name: (6-fluoro-1,4-dihydro-s-triazin-2-yl)-[4-(2-phosphonatoethylsulfonyl)phenyl]amine Formula: C11H12FN4O5PS-2 MolecularWeight: 362.273944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1N=C(NC(=N1)F)NC2=CC=C(C=C2)S(=O)(=O)CCP(=O)([O-])[O-]

Isomeric SMILES

C1N=C(NC(=N1)F)NC2=CC=C(C=C2)S(=O)(=O)CCP(=O)([O-])[O-]

InChI

InChI=1S/C11H14FN4O5PS/c12-10-13-7-14-11(16-10)15-8-1-3-9(4-2-8)23(20,21)6-5-22(17,18)19/h1-4H,5-7H2,(H2,17,18,19)(H2,13,14,15,16)/p-2