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

Systemtic Name:	5-(4-decoxyphenyl)-2-undecylsulfanyl-pyrimidine
Openeye Name:	5-(4-decoxyphenyl)-2-undecylsulfanyl-pyrimidine
CAS Name:	5-(4-decoxyphenyl)-2-(undecylthio)pyrimidine
IUPAC Name:	5-(4-decoxyphenyl)-2-undecylsulfanylpyrimidine
Traditional Name:	5-(4-decoxyphenyl)-2-(undecylthio)pyrimidine
Formula:	C₃₁H₅₀N₂OS
MolecularWeight:	498.8065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H50N2OS/c1-3-5-7-9-11-13-15-17-19-25-35-31-32-26-29(27-33-31)28-20-22-30(23-21-28)34-24-18-16-14-12-10-8-6-4-2/h20-23,26-27H,3-19,24-25H2,1-2H3

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