2-[[2-oxidanyl-3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]amino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[[2-oxidanyl-3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]amino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[[2-hydroxy-3-[3-(1-piperidylmethyl)phenoxy]propyl]amino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[[2-hydroxy-3-[3-(1-piperidinylmethyl)phenoxy]propyl]amino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[[2-hydroxy-3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]amino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[[2-hydroxy-3-[3-(piperidinomethyl)phenoxy]propyl]amino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCC(CNC3=NC=C(C(=O)N3)CC4=CN=CC=C4)O

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCC(CNC3=NC=C(C(=O)N3)CC4=CN=CC=C4)O

InChI

InChI=1S/C25H31N5O3/c31-22(18-33-23-8-4-6-20(13-23)17-30-10-2-1-3-11-30)16-28-25-27-15-21(24(32)29-25)12-19-7-5-9-26-14-19/h4-9,13-15,22,31H,1-3,10-12,16-18H2,(H2,27,28,29,32)