5-[4-(4-methylhexoxy)phenyl]-2-octylsulfanyl-pyrimidine

Systemtic Name: 5-[4-(4-methylhexoxy)phenyl]-2-octylsulfanyl-pyrimidine Openeye Name: 5-[4-(4-methylhexoxy)phenyl]-2-octylsulfanyl-pyrimidine CAS Name: 5-[4-(4-methylhexoxy)phenyl]-2-(octylthio)pyrimidine IUPAC Name: 5-[4-(4-methylhexoxy)phenyl]-2-octylsulfanylpyrimidine Traditional Name: 5-[4-(4-methylhexoxy)phenyl]-2-(octylthio)pyrimidine Formula: C25H38N2OS MolecularWeight: 414.64702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2OS/c1-4-6-7-8-9-10-18-29-25-26-19-23(20-27-25)22-13-15-24(16-14-22)28-17-11-12-21(3)5-2/h13-16,19-21H,4-12,17-18H2,1-3H3