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

Systemtic Name: 5-(4-decoxyphenyl)-2-nonylsulfanyl-pyrimidine Openeye Name: 5-(4-decoxyphenyl)-2-nonylsulfanyl-pyrimidine CAS Name: 5-(4-decoxyphenyl)-2-(nonylthio)pyrimidine IUPAC Name: 5-(4-decoxyphenyl)-2-nonylsulfanylpyrimidine Traditional Name: 5-(4-decoxyphenyl)-2-(nonylthio)pyrimidine Formula: C29H46N2OS MolecularWeight: 470.75334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SCCCCCCCCC

InChI

InChI=1S/C29H46N2OS/c1-3-5-7-9-11-12-14-16-22-32-28-20-18-26(19-21-28)27-24-30-29(31-25-27)33-23-17-15-13-10-8-6-4-2/h18-21,24-25H,3-17,22-23H2,1-2H3