1-(1H-indol-4-yloxy)-3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propan-2-ol hydrate dihydrochloride

Systemtic Name: 1-(1H-indol-4-yloxy)-3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propan-2-ol hydrate dihydrochloride Openeye Name: 1-(1H-indol-4-yloxy)-3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propan-2-ol hydrate dihydrochloride CAS Name: 1-(1H-indol-4-yloxy)-3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]-2-propanol hydrate dihydrochloride IUPAC Name: 1-(1H-indol-4-yloxy)-3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propan-2-ol hydrate dihydrochloride Traditional Name: 1-(1H-indol-4-yloxy)-3-[4-(5-methoxypyrimidin-4-yl)piperazino]propan-2-ol hydrate dihydrochloride Formula: C20H29Cl2N5O4 MolecularWeight: 474.38136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=CN=C1N2CCN(CC2)CC(COC3=CC=CC4=C3C=CN4)O.O.Cl.Cl

Isomeric SMILES

COC1=CN=CN=C1N2CCN(CC2)CC(COC3=CC=CC4=C3C=CN4)O.O.Cl.Cl

InChI

InChI=1S/C20H25N5O3.2ClH.H2O/c1-27-19-11-21-14-23-20(19)25-9-7-24(8-10-25)12-15(26)13-28-18-4-2-3-17-16(18)5-6-22-17;;;/h2-6,11,14-15,22,26H,7-10,12-13H2,1H3;2*1H;1H2