gallium N-(dimethylcarbamothioyl)-N-[(E)-pyrazin-2-ylmethylideneamino]ethanamide hexafluorophosphate

Systemtic Name: gallium N-(dimethylcarbamothioyl)-N-[(E)-pyrazin-2-ylmethylideneamino]ethanamide hexafluorophosphate Openeye Name: gallium N-(dimethylcarbamothioyl)-N-[(E)-pyrazin-2-ylmethyleneamino]acetamide hexafluorophosphate CAS Name: gallium N-[dimethylamino(sulfanylidene)methyl]-N-[(E)-2-pyrazinylmethylideneamino]acetamide hexafluorophosphate IUPAC Name: gallium N-(dimethylcarbamothioyl)-N-[(E)-pyrazin-2-ylmethylideneamino]acetamide hexafluorophosphate Traditional Name: gallium N-(dimethylthiocarbamoyl)-N-[(E)-pyrazin-2-ylmethyleneamino]acetamide hexafluorophosphate Formula: C20H26F6GaN10O2PS2+2 MolecularWeight: 717.30342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(=S)N(C)C)N=CC1=NC=CN=C1.CC(=O)N(C(=S)N(C)C)N=CC1=NC=CN=C1.F[P-](F)(F)(F)(F)F.[Ga+3]

Isomeric SMILES

CC(=O)N(/N=C/C1=NC=CN=C1)C(=S)N(C)C.CC(=O)N(/N=C/C1=NC=CN=C1)C(=S)N(C)C.F[P-](F)(F)(F)(F)F.[Ga+3]

InChI

InChI=1S/2C10H13N5OS.F6P.Ga/c2*1-8(16)15(10(17)14(2)3)13-7-9-6-11-4-5-12-9;1-7(2,3,4,5)6;/h2*4-7H,1-3H3;;/q;;-1;+3/b2*13-7+;;