N4-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-6-methyl-pyrimidin-3-ium-2,4-diamine

Systemtic Name: N4-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-6-methyl-pyrimidin-3-ium-2,4-diamine Openeye Name: N4-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-6-methyl-pyrimidin-3-ium-2,4-diamine CAS Name: N4-[(1S)-1-[1-(2-fluorophenyl)-4-pyrazolyl]ethyl]-6-methylpyrimidin-3-ium-2,4-diamine IUPAC Name: 4-N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-6-methylpyrimidin-3-ium-2,4-diamine Traditional Name: (2-amino-6-methyl-pyrimidin-3-ium-4-yl)-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]amine Formula: C16H18FN6+ MolecularWeight: 313.352723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N)NC(C)C2=CN(N=C2)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N)N[C@@H](C)C2=CN(N=C2)C3=CC=CC=C3F

InChI

InChI=1S/C16H17FN6/c1-10-7-15(22-16(18)20-10)21-11(2)12-8-19-23(9-12)14-6-4-3-5-13(14)17/h3-9,11H,1-2H3,(H3,18,20,21,22)/p+1/t11-/m0/s1