1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-thiochroman-8-yloxy-propan-2-ol CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-3-thiochroman-8-yloxy-propan-2-ol Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC=C2)OCC(CN3CCN(CC3)C4=NC=CC=N4)O)SC1

Isomeric SMILES

C1CC2=C(C(=CC=C2)OCC(CN3CCN(CC3)C4=NC=CC=N4)O)SC1

InChI

InChI=1S/C20H26N4O2S/c25-17(15-26-18-6-1-4-16-5-2-13-27-19(16)18)14-23-9-11-24(12-10-23)20-21-7-3-8-22-20/h1,3-4,6-8,17,25H,2,5,9-15H2