2-[[3,6-dicyano-5-(2-sulfoethylamino)pyrazin-2-yl]amino]ethanesulfonic acid

Systemtic Name: 2-[[3,6-dicyano-5-(2-sulfoethylamino)pyrazin-2-yl]amino]ethanesulfonic acid Openeye Name: 2-[[3,6-dicyano-5-(2-sulfoethylamino)pyrazin-2-yl]amino]ethanesulfonic acid CAS Name: 2-[[3,6-dicyano-5-(2-sulfoethylamino)-2-pyrazinyl]amino]ethanesulfonic acid IUPAC Name: 2-[[3,6-dicyano-5-(2-sulfoethylamino)pyrazin-2-yl]amino]ethanesulfonic acid Traditional Name: 2-[[3,6-dicyano-5-(2-sulfoethylamino)pyrazin-2-yl]amino]ethanesulfonic acid Formula: C10H12N6O6S2 MolecularWeight: 376.36888

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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

Isomeric SMILES

C(CS(=O)(=O)O)NC1=C(N=C(C(=N1)C#N)NCCS(=O)(=O)O)C#N

InChI

InChI=1S/C10H12N6O6S2/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)