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

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

Systemtic Name:5-[4-(6-methyloctoxy)phenyl]-2-undecylsulfanyl-pyrimidine
Openeye Name:5-[4-(6-methyloctoxy)phenyl]-2-undecylsulfanyl-pyrimidine
CAS Name:5-[4-(6-methyloctoxy)phenyl]-2-(undecylthio)pyrimidine
IUPAC Name:5-[4-(6-methyloctoxy)phenyl]-2-undecylsulfanylpyrimidine
Traditional Name:5-[4-(6-methyloctoxy)phenyl]-2-(undecylthio)pyrimidine
Formula: C30H48N2OS
MolecularWeight: 484.77992
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCC(C)CC


Isomeric SMILES

CCCCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCC(C)CC


InChI

InChI=1S/C30H48N2OS/c1-4-6-7-8-9-10-11-12-16-23-34-30-31-24-28(25-32-30)27-18-20-29(21-19-27)33-22-15-13-14-17-26(3)5-2/h18-21,24-26H,4-17,22-23H2,1-3H3


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