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

Systemtic Name: 2-octoxy-5-[4-[[(2R,3R)-2-octylthietan-3-yl]methoxy]phenyl]pyrimidine Openeye Name: 2-octoxy-5-[4-[[(2R,3R)-2-octylthietan-3-yl]methoxy]phenyl]pyrimidine CAS Name: 2-octoxy-5-[4-[[(2R,3R)-2-octyl-3-thietanyl]methoxy]phenyl]pyrimidine IUPAC Name: 2-octoxy-5-[4-[[(2R,3R)-2-octylthietan-3-yl]methoxy]phenyl]pyrimidine Traditional Name: 2-octoxy-5-[4-[[(2R,3R)-2-octylthietan-3-yl]methoxy]phenyl]pyrimidine Formula: C30H46N2O2S MolecularWeight: 498.76344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(CS1)COC2=CC=C(C=C2)C3=CN=C(N=C3)OCCCCCCCC

Isomeric SMILES

CCCCCCCC[C@@H]1[C@@H](CS1)COC2=CC=C(C=C2)C3=CN=C(N=C3)OCCCCCCCC

InChI

InChI=1S/C30H46N2O2S/c1-3-5-7-9-11-13-15-29-27(24-35-29)23-34-28-18-16-25(17-19-28)26-21-31-30(32-22-26)33-20-14-12-10-8-6-4-2/h16-19,21-22,27,29H,3-15,20,23-24H2,1-2H3/t27-,29-/m1/s1