3,4-bis(azanyl)-2-(2-methyl-2-oxidanyl-propyl)-1H-pyrazol-5-one sulfate

Systemtic Name: 3,4-bis(azanyl)-2-(2-methyl-2-oxidanyl-propyl)-1H-pyrazol-5-one sulfate Openeye Name: 3,4-diamino-2-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-5-one sulfate CAS Name: 3,4-diamino-2-(2-hydroxy-2-methylpropyl)-1H-pyrazol-5-one sulfate IUPAC Name: 3,4-diamino-2-(2-hydroxy-2-methylpropyl)-1H-pyrazol-5-one sulfate Traditional Name: 4,5-diamino-1-(2-hydroxy-2-methyl-propyl)-3-pyrazolin-3-one sulfate Formula: C7H14N4O6S-2 MolecularWeight: 282.27426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C(=C(C(=O)N1)N)N)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(CN1C(=C(C(=O)N1)N)N)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C7H14N4O2.H2O4S/c1-7(2,13)3-11-5(9)4(8)6(12)10-11;1-5(2,3)4/h13H,3,8-9H2,1-2H3,(H,10,12);(H2,1,2,3,4)/p-2