2-octoxy-5-[4-[[(2R,3R)-3-octylthiiran-2-yl]methoxy]phenyl]pyrimidine

Systemtic Name: 2-octoxy-5-[4-[[(2R,3R)-3-octylthiiran-2-yl]methoxy]phenyl]pyrimidine Openeye Name: 2-octoxy-5-[4-[[(2R,3R)-3-octylthiiran-2-yl]methoxy]phenyl]pyrimidine CAS Name: 2-octoxy-5-[4-[[(2R,3R)-3-octyl-2-thiiranyl]methoxy]phenyl]pyrimidine IUPAC Name: 2-octoxy-5-[4-[[(2R,3R)-3-octylthiiran-2-yl]methoxy]phenyl]pyrimidine Traditional Name: 2-octoxy-5-[4-[[(2R,3R)-3-octylthiiran-2-yl]methoxy]phenyl]pyrimidine Formula: C29H44N2O2S MolecularWeight: 484.73686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(S1)COC2=CC=C(C=C2)C3=CN=C(N=C3)OCCCCCCCC

Isomeric SMILES

CCCCCCCC[C@@H]1[C@H](S1)COC2=CC=C(C=C2)C3=CN=C(N=C3)OCCCCCCCC

InChI

InChI=1S/C29H44N2O2S/c1-3-5-7-9-11-13-15-27-28(34-27)23-33-26-18-16-24(17-19-26)25-21-30-29(31-22-25)32-20-14-12-10-8-6-4-2/h16-19,21-22,27-28H,3-15,20,23H2,1-2H3/t27-,28-/m1/s1