3-octadecoxy-2-pyrimidin-2-yloxy-propane-1-thiol

Systemtic Name: 3-octadecoxy-2-pyrimidin-2-yloxy-propane-1-thiol Openeye Name: 3-octadecoxy-2-pyrimidin-2-yloxy-propane-1-thiol CAS Name: 3-octadecoxy-2-(2-pyrimidinyloxy)-1-propanethiol IUPAC Name: 3-octadecoxy-2-pyrimidin-2-yloxypropane-1-thiol Traditional Name: 2-(2-pyrimidyloxy)-3-stearyloxy-propane-1-thiol Formula: C25H46N2O2S MolecularWeight: 438.70994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CS)OC1=NC=CC=N1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CS)OC1=NC=CC=N1

InChI

InChI=1S/C25H46N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-22-24(23-30)29-25-26-19-18-20-27-25/h18-20,24,30H,2-17,21-23H2,1H3