5-[2-[2,3-bis(fluoranyl)hexoxy]phenyl]-2-decylsulfanyl-pyrimidine

Systemtic Name: 5-[2-[2,3-bis(fluoranyl)hexoxy]phenyl]-2-decylsulfanyl-pyrimidine Openeye Name: 2-decylsulfanyl-5-[2-(2,3-difluorohexoxy)phenyl]pyrimidine CAS Name: 2-(decylthio)-5-[2-(2,3-difluorohexoxy)phenyl]pyrimidine IUPAC Name: 2-decylsulfanyl-5-[2-(2,3-difluorohexoxy)phenyl]pyrimidine Traditional Name: 2-(decylthio)-5-[2-(2,3-difluorohexoxy)phenyl]pyrimidine Formula: C26H38F2N2OS MolecularWeight: 464.654526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC=C(C=N1)C2=CC=CC=C2OCC(C(CCC)F)F

Isomeric SMILES

CCCCCCCCCCSC1=NC=C(C=N1)C2=CC=CC=C2OCC(C(CCC)F)F

InChI

InChI=1S/C26H38F2N2OS/c1-3-5-6-7-8-9-10-13-17-32-26-29-18-21(19-30-26)22-15-11-12-16-25(22)31-20-24(28)23(27)14-4-2/h11-12,15-16,18-19,23-24H,3-10,13-14,17,20H2,1-2H3