5-[4-(7-methylnonoxy)phenyl]-2-octylsulfanyl-pyrimidine

Systemtic Name: 5-[4-(7-methylnonoxy)phenyl]-2-octylsulfanyl-pyrimidine Openeye Name: 5-[4-(7-methylnonoxy)phenyl]-2-octylsulfanyl-pyrimidine CAS Name: 5-[4-(7-methylnonoxy)phenyl]-2-(octylthio)pyrimidine IUPAC Name: 5-[4-(7-methylnonoxy)phenyl]-2-octylsulfanylpyrimidine Traditional Name: 5-[4-(7-methylnonoxy)phenyl]-2-(octylthio)pyrimidine Formula: C28H44N2OS MolecularWeight: 456.72676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44N2OS/c1-4-6-7-8-11-14-21-32-28-29-22-26(23-30-28)25-16-18-27(19-17-25)31-20-13-10-9-12-15-24(3)5-2/h16-19,22-24H,4-15,20-21H2,1-3H3