5-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-2-(2-phenylsulfanylethoxy)pyrimidine

Systemtic Name: 5-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-2-(2-phenylsulfanylethoxy)pyrimidine Openeye Name: 5-[3-(2-naphthylmethoxy)-4-piperidyl]-2-(2-phenylsulfanylethoxy)pyrimidine CAS Name: 5-[3-(2-naphthalenylmethoxy)-4-piperidinyl]-2-[2-(phenylthio)ethoxy]pyrimidine IUPAC Name: 5-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-2-(2-phenylsulfanylethoxy)pyrimidine Traditional Name: 5-[3-(2-naphthylmethoxy)-4-piperidyl]-2-[2-(phenylthio)ethoxy]pyrimidine Formula: C28H29N3O2S MolecularWeight: 471.61376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1C2=CN=C(N=C2)OCCSC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CNCC(C1C2=CN=C(N=C2)OCCSC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H29N3O2S/c1-2-8-25(9-3-1)34-15-14-32-28-30-17-24(18-31-28)26-12-13-29-19-27(26)33-20-21-10-11-22-6-4-5-7-23(22)16-21/h1-11,16-18,26-27,29H,12-15,19-20H2