3-[[4-[4-(2-pyrimidin-2-ylsulfanylethyl)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol

Systemtic Name: 3-[[4-[4-(2-pyrimidin-2-ylsulfanylethyl)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol Openeye Name: 3-[[4-[4-(2-pyrimidin-2-ylsulfanylethyl)phenyl]-3-piperidyl]oxymethyl]naphthalen-1-ol CAS Name: 3-[[4-[4-[2-(2-pyrimidinylthio)ethyl]phenyl]-3-piperidinyl]oxymethyl]-1-naphthalenol IUPAC Name: 3-[[4-[4-(2-pyrimidin-2-ylsulfanylethyl)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol Traditional Name: 3-[[4-[4-[2-(2-pyrimidylthio)ethyl]phenyl]-3-piperidyl]oxymethyl]-1-naphthol Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1C2=CC=C(C=C2)CCSC3=NC=CC=N3)OCC4=CC5=CC=CC=C5C(=C4)O

Isomeric SMILES

C1CNCC(C1C2=CC=C(C=C2)CCSC3=NC=CC=N3)OCC4=CC5=CC=CC=C5C(=C4)O

InChI

InChI=1S/C28H29N3O2S/c32-26-17-21(16-23-4-1-2-5-24(23)26)19-33-27-18-29-14-10-25(27)22-8-6-20(7-9-22)11-15-34-28-30-12-3-13-31-28/h1-9,12-13,16-17,25,27,29,32H,10-11,14-15,18-19H2