1-[4-(1-benzothiophen-3-yl)phenoxy]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol

Systemtic Name: 1-[4-(1-benzothiophen-3-yl)phenoxy]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: 1-[4-(benzothiophen-3-yl)phenoxy]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol CAS Name: 1-[4-(1-benzothiophen-3-yl)phenoxy]-3-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-[4-(1-benzothiophen-3-yl)phenoxy]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: 1-[4-(benzothiophen-3-yl)phenoxy]-3-[4-(2-pyrimidyl)piperazino]propan-2-ol Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)C3=CSC4=CC=CC=C43)O)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)C3=CSC4=CC=CC=C43)O)C5=NC=CC=N5

InChI

InChI=1S/C25H26N4O2S/c30-20(16-28-12-14-29(15-13-28)25-26-10-3-11-27-25)17-31-21-8-6-19(7-9-21)23-18-32-24-5-2-1-4-22(23)24/h1-11,18,20,30H,12-17H2