5-[4-[(6S)-6-methyloctoxy]phenyl]-2-[(6S)-6-methyloctyl]sulfanyl-pyrimidine

Systemtic Name: 5-[4-[(6S)-6-methyloctoxy]phenyl]-2-[(6S)-6-methyloctyl]sulfanyl-pyrimidine Openeye Name: 5-[4-[(6S)-6-methyloctoxy]phenyl]-2-[(6S)-6-methyloctyl]sulfanyl-pyrimidine CAS Name: 5-[4-[(6S)-6-methyloctoxy]phenyl]-2-[[(6S)-6-methyloctyl]thio]pyrimidine IUPAC Name: 5-[4-[(6S)-6-methyloctoxy]phenyl]-2-[(6S)-6-methyloctyl]sulfanylpyrimidine Traditional Name: 5-[4-[(6S)-6-methyloctoxy]phenyl]-2-[[(6S)-6-methyloctyl]thio]pyrimidine Formula: C28H44N2OS MolecularWeight: 456.72676

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SCCCCCC(C)CC

Isomeric SMILES

CC[C@H](C)CCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SCCCCC[C@@H](C)CC

InChI

InChI=1S/C28H44N2OS/c1-5-23(3)13-9-7-11-19-31-27-17-15-25(16-18-27)26-21-29-28(30-22-26)32-20-12-8-10-14-24(4)6-2/h15-18,21-24H,5-14,19-20H2,1-4H3/t23-,24-/m0/s1