2-[3-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenoxy]ethanol

Systemtic Name: 2-[3-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenoxy]ethanol Openeye Name: 2-[3-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methyl]phenoxy]ethanol CAS Name: 2-[3-[[3-[2-[2-(1-pyrrolidinyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]methyl]phenoxy]ethanol IUPAC Name: 2-[3-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenoxy]ethanol Traditional Name: 2-[3-[[3-[2-(2-pyrrolidinoethylthio)pyrimidin-4-yl]piperidino]methyl]phenoxy]ethanol Formula: C24H34N4O2S MolecularWeight: 442.61736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC2=NC=CC(=N2)C3CCCN(C3)CC4=CC(=CC=C4)OCCO

Isomeric SMILES

C1CCN(C1)CCSC2=NC=CC(=N2)C3CCCN(C3)CC4=CC(=CC=C4)OCCO

InChI

InChI=1S/C24H34N4O2S/c29-14-15-30-22-7-3-5-20(17-22)18-28-12-4-6-21(19-28)23-8-9-25-24(26-23)31-16-13-27-10-1-2-11-27/h3,5,7-9,17,21,29H,1-2,4,6,10-16,18-19H2