5-(4-nonoxyphenyl)-2-undecylsulfanyl-pyrimidine

Systemtic Name: 5-(4-nonoxyphenyl)-2-undecylsulfanyl-pyrimidine Openeye Name: 5-(4-nonoxyphenyl)-2-undecylsulfanyl-pyrimidine CAS Name: 5-(4-nonoxyphenyl)-2-(undecylthio)pyrimidine IUPAC Name: 5-(4-nonoxyphenyl)-2-undecylsulfanylpyrimidine Traditional Name: 5-(4-nonoxyphenyl)-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)OCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H48N2OS/c1-3-5-7-9-11-12-14-16-18-24-34-30-31-25-28(26-32-30)27-19-21-29(22-20-27)33-23-17-15-13-10-8-6-4-2/h19-22,25-26H,3-18,23-24H2,1-2H3