[2-(azaniumylamino)-2-oxidanylidene-1-(5-phenyl-1,2,4-triazin-3-yl)ethyl]azanium dibromide

Systemtic Name: [2-(azaniumylamino)-2-oxidanylidene-1-(5-phenyl-1,2,4-triazin-3-yl)ethyl]azanium dibromide Openeye Name: [2-(azaniumylamino)-2-oxo-1-(5-phenyl-1,2,4-triazin-3-yl)ethyl]ammonium dibromide CAS Name: [2-(ammonioamino)-2-oxo-1-(5-phenyl-1,2,4-triazin-3-yl)ethyl]ammonium dibromide IUPAC Name: [2-(azaniumylamino)-2-oxo-1-(5-phenyl-1,2,4-triazin-3-yl)ethyl]azanium dibromide Traditional Name: [2-(ammonioamino)-2-keto-1-(5-phenyl-1,2,4-triazin-3-yl)ethyl]ammonium dibromide Formula: C11H14Br2N6O MolecularWeight: 406.07646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=NC(=N2)C(C(=O)N[NH3+])[NH3+].[Br-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=NC(=N2)C(C(=O)N[NH3+])[NH3+].[Br-].[Br-]

InChI

InChI=1S/C11H12N6O.2BrH/c12-9(11(18)16-13)10-15-8(6-14-17-10)7-4-2-1-3-5-7;;/h1-6,9H,12-13H2,(H,16,18);2*1H