sodium; 2-methyl-6-(trifluoromethyl)pyrimidin-4-amine; phenylbenzene

Systemtic Name: sodium; 2-methyl-6-(trifluoromethyl)pyrimidin-4-amine; phenylbenzene Openeye Name: sodium; 2-methyl-6-(trifluoromethyl)pyrimidin-4-amine; phenylbenzene CAS Name: sodium; 2-methyl-6-(trifluoromethyl)-4-pyrimidinamine; phenylbenzene IUPAC Name: sodium; 2-methyl-6-(trifluoromethyl)pyrimidin-4-amine; phenylbenzene Traditional Name: sodium; [2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amine; phenylbenzene Formula: C18H15F3N3Na MolecularWeight: 353.31678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N)C(F)(F)F.C1=CC=C(C=C1)C2=CC=[C-]C=C2.[Na+]

Isomeric SMILES

CC1=NC(=CC(=N1)N)C(F)(F)F.C1=CC=C(C=C1)C2=CC=[C-]C=C2.[Na+]

InChI

InChI=1S/C12H9.C6H6F3N3.Na/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-11-4(6(7,8)9)2-5(10)12-3;/h1,3-10H;2H,1H3,(H2,10,11,12);/q-1;;+1