1-(tert-butylamino)-3-(1-diazanylphthalazin-5-yl)oxy-propan-2-ol sulfate hydrate

Systemtic Name: 1-(tert-butylamino)-3-(1-diazanylphthalazin-5-yl)oxy-propan-2-ol sulfate hydrate Openeye Name: 1-(tert-butylamino)-3-(1-hydrazinophthalazin-5-yl)oxy-propan-2-ol sulfate hydrate CAS Name: 1-(tert-butylamino)-3-[(1-hydrazinyl-5-phthalazinyl)oxy]-2-propanol sulfate hydrate IUPAC Name: 1-(tert-butylamino)-3-(1-hydrazinylphthalazin-5-yl)oxypropan-2-ol sulfate hydrate Traditional Name: 1-(tert-butylamino)-3-(1-hydrazinophthalazin-5-yl)oxy-propan-2-ol sulfate hydrate Formula: C15H25N5O7S-2 MolecularWeight: 419.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC2=C(N=NC=C21)NN)O.O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC2=C(N=NC=C21)NN)O.O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C15H23N5O2.H2O4S.H2O/c1-15(2,3)17-7-10(21)9-22-13-6-4-5-11-12(13)8-18-20-14(11)19-16;1-5(2,3)4;/h4-6,8,10,17,21H,7,9,16H2,1-3H3,(H,19,20);(H2,1,2,3,4);1H2/p-2