1-[4-[(4-chlorophenyl)methyl]-1-diazanyl-phthalazin-5-yl]oxy-3-(propan-2-ylamino)propan-2-ol sulfate

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]-1-diazanyl-phthalazin-5-yl]oxy-3-(propan-2-ylamino)propan-2-ol sulfate Openeye Name: 1-[4-[(4-chlorophenyl)methyl]-1-hydrazino-phthalazin-5-yl]oxy-3-(isopropylamino)propan-2-ol sulfate CAS Name: 1-[[4-[(4-chlorophenyl)methyl]-1-hydrazinyl-5-phthalazinyl]oxy]-3-(propan-2-ylamino)-2-propanol sulfate IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]-1-hydrazinylphthalazin-5-yl]oxy-3-(propan-2-ylamino)propan-2-ol sulfate Traditional Name: 1-[4-(4-chlorobenzyl)-1-hydrazino-phthalazin-5-yl]oxy-3-(isopropylamino)propan-2-ol sulfate Formula: C21H26ClN5O6S-2 MolecularWeight: 511.97904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC2=C1C(=NN=C2NN)CC3=CC=C(C=C3)Cl)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(C)NCC(COC1=CC=CC2=C1C(=NN=C2NN)CC3=CC=C(C=C3)Cl)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C21H26ClN5O2.H2O4S/c1-13(2)24-11-16(28)12-29-19-5-3-4-17-20(19)18(26-27-21(17)25-23)10-14-6-8-15(22)9-7-14;1-5(2,3)4/h3-9,13,16,24,28H,10-12,23H2,1-2H3,(H,25,27);(H2,1,2,3,4)/p-2