disodium 2-[[3,6-dicyano-5-(2-sulfonatoethylamino)pyrazin-2-yl]amino]ethanesulfonate

Systemtic Name: disodium 2-[[3,6-dicyano-5-(2-sulfonatoethylamino)pyrazin-2-yl]amino]ethanesulfonate Openeye Name: disodium 2-[[3,6-dicyano-5-(2-sulfonatoethylamino)pyrazin-2-yl]amino]ethanesulfonate CAS Name: disodium 2-[[3,6-dicyano-5-(2-sulfonatoethylamino)-2-pyrazinyl]amino]ethanesulfonate IUPAC Name: disodium 2-[[3,6-dicyano-5-(2-sulfonatoethylamino)pyrazin-2-yl]amino]ethanesulfonate Traditional Name: disodium 2-[[3,6-dicyano-5-(2-sulfonatoethylamino)pyrazin-2-yl]amino]ethanesulfonate Formula: C10H10N6Na2O6S2 MolecularWeight: 420.33254

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Descriptors Computed from Structure

Canonical SMILES:

C(CS(=O)(=O)[O-])NC1=C(N=C(C(=N1)C#N)NCCS(=O)(=O)[O-])C#N.[Na+].[Na+]

Isomeric SMILES

C(CS(=O)(=O)[O-])NC1=C(N=C(C(=N1)C#N)NCCS(=O)(=O)[O-])C#N.[Na+].[Na+]

InChI

InChI=1S/C10H12N6O6S2.2Na/c11-5-7-9(13-1-3-23(17,18)19)15-8(6-12)10(16-7)14-2-4-24(20,21)22;;/h1-4H2,(H,13,15)(H,14,16)(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2