5-[4-(6-methyloctoxy)phenyl]-2-octylsulfanyl-pyrimidine

Systemtic Name: 5-[4-(6-methyloctoxy)phenyl]-2-octylsulfanyl-pyrimidine Openeye Name: 5-[4-(6-methyloctoxy)phenyl]-2-octylsulfanyl-pyrimidine CAS Name: 5-[4-(6-methyloctoxy)phenyl]-2-(octylthio)pyrimidine IUPAC Name: 5-[4-(6-methyloctoxy)phenyl]-2-octylsulfanylpyrimidine Traditional Name: 5-[4-(6-methyloctoxy)phenyl]-2-(octylthio)pyrimidine Formula: C27H42N2OS MolecularWeight: 442.70018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCC(C)CC

Isomeric SMILES

CCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCC(C)CC

InChI

InChI=1S/C27H42N2OS/c1-4-6-7-8-9-13-20-31-27-28-21-25(22-29-27)24-15-17-26(18-16-24)30-19-12-10-11-14-23(3)5-2/h15-18,21-23H,4-14,19-20H2,1-3H3