1-(tert-butylamino)-3-[2-(6-diazanylpyridazin-3-yl)phenoxy]propan-2-ol hydrate dihydrochloride

Systemtic Name: 1-(tert-butylamino)-3-[2-(6-diazanylpyridazin-3-yl)phenoxy]propan-2-ol hydrate dihydrochloride Openeye Name: 1-(tert-butylamino)-3-[2-(6-hydrazinopyridazin-3-yl)phenoxy]propan-2-ol hydrate dihydrochloride CAS Name: 1-(tert-butylamino)-3-[2-(6-hydrazinyl-3-pyridazinyl)phenoxy]-2-propanol hydrate dihydrochloride IUPAC Name: 1-(tert-butylamino)-3-[2-(6-hydrazinylpyridazin-3-yl)phenoxy]propan-2-ol hydrate dihydrochloride Traditional Name: 1-(tert-butylamino)-3-[2-(6-hydrazinopyridazin-3-yl)phenoxy]propan-2-ol hydrate dihydrochloride Formula: C17H29Cl2N5O3 MolecularWeight: 422.34986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC=C1C2=NN=C(C=C2)NN)O.O.Cl.Cl

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC=C1C2=NN=C(C=C2)NN)O.O.Cl.Cl

InChI

InChI=1S/C17H25N5O2.2ClH.H2O/c1-17(2,3)19-10-12(23)11-24-15-7-5-4-6-13(15)14-8-9-16(20-18)22-21-14;;;/h4-9,12,19,23H,10-11,18H2,1-3H3,(H,20,22);2*1H;1H2