2-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methylsulfanyl]pyrimidine

Systemtic Name: 2-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methylsulfanyl]pyrimidine Openeye Name: 2-[[4-[3-(2-naphthylmethoxy)-4-piperidyl]phenyl]methylsulfanyl]pyrimidine CAS Name: 2-[[4-[3-(2-naphthalenylmethoxy)-4-piperidinyl]phenyl]methylthio]pyrimidine IUPAC Name: 2-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methylsulfanyl]pyrimidine Traditional Name: 2-[[4-[3-(2-naphthylmethoxy)-4-piperidyl]benzyl]thio]pyrimidine Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1C2=CC=C(C=C2)CSC3=NC=CC=N3)OCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CNCC(C1C2=CC=C(C=C2)CSC3=NC=CC=N3)OCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H27N3OS/c1-2-5-24-16-21(8-9-22(24)4-1)18-31-26-17-28-15-12-25(26)23-10-6-20(7-11-23)19-32-27-29-13-3-14-30-27/h1-11,13-14,16,25-26,28H,12,15,17-19H2