2-ethynyl-2-[4-(phenylmethyl)-2-thiophen-2-yl-pyrimidin-5-yl]-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-2-[4-(phenylmethyl)-2-thiophen-2-yl-pyrimidin-5-yl]-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-[4-benzyl-2-(2-thienyl)pyrimidin-5-yl]-2-ethynyl-quinuclidin-3-ol CAS Name: 2-ethynyl-2-[4-(phenylmethyl)-2-thiophen-2-yl-5-pyrimidinyl]-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-(4-benzyl-2-thiophen-2-ylpyrimidin-5-yl)-2-ethynyl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-[4-benzyl-2-(2-thienyl)pyrimidin-5-yl]-2-ethynyl-quinuclidin-3-ol Formula: C24H23N3OS MolecularWeight: 401.52392

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1CC2)O)C3=CN=C(N=C3CC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C#CC1(C(C2CCN1CC2)O)C3=CN=C(N=C3CC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C24H23N3OS/c1-2-24(22(28)18-10-12-27(24)13-11-18)19-16-25-23(21-9-6-14-29-21)26-20(19)15-17-7-4-3-5-8-17/h1,3-9,14,16,18,22,28H,10-13,15H2