3,4-bis(azanyl)-2-(2-oxidanylpropyl)-1H-pyrazol-5-one sulfate

Systemtic Name: 3,4-bis(azanyl)-2-(2-oxidanylpropyl)-1H-pyrazol-5-one sulfate Openeye Name: 3,4-diamino-2-(2-hydroxypropyl)-1H-pyrazol-5-one sulfate CAS Name: 3,4-diamino-2-(2-hydroxypropyl)-1H-pyrazol-5-one sulfate IUPAC Name: 3,4-diamino-2-(2-hydroxypropyl)-1H-pyrazol-5-one sulfate Traditional Name: 4,5-diamino-1-(2-hydroxypropyl)-3-pyrazolin-3-one sulfate Formula: C6H12N4O6S-2 MolecularWeight: 268.24768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12N4O2.H2O4S/c1-3(11)2-10-5(8)4(7)6(12)9-10;1-5(2,3)4/h3,11H,2,7-8H2,1H3,(H,9,12);(H2,1,2,3,4)/p-2