1-[2-methoxy-5-[[2-(1-methylimidazol-2-yl)sulfanylethylamino]methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol

Systemtic Name: 1-[2-methoxy-5-[[2-(1-methylimidazol-2-yl)sulfanylethylamino]methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol Openeye Name: 1-[2-methoxy-5-[[2-(1-methylimidazol-2-yl)sulfanylethylamino]methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol CAS Name: 1-[2-methoxy-5-[[2-[(1-methyl-2-imidazolyl)thio]ethylamino]methyl]phenoxy]-3-(4-methyl-1-piperazinyl)-2-propanol IUPAC Name: 1-[2-methoxy-5-[[2-(1-methylimidazol-2-yl)sulfanylethylamino]methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol Traditional Name: 1-[2-methoxy-5-[[2-[(1-methylimidazol-2-yl)thio]ethylamino]methyl]phenoxy]-3-(4-methylpiperazino)propan-2-ol Formula: C22H35N5O3S MolecularWeight: 449.61

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(COC2=C(C=CC(=C2)CNCCSC3=NC=CN3C)OC)O

Isomeric SMILES

CN1CCN(CC1)CC(COC2=C(C=CC(=C2)CNCCSC3=NC=CN3C)OC)O

InChI

InChI=1S/C22H35N5O3S/c1-25-9-11-27(12-10-25)16-19(28)17-30-21-14-18(4-5-20(21)29-3)15-23-7-13-31-22-24-6-8-26(22)2/h4-6,8,14,19,23,28H,7,9-13,15-17H2,1-3H3