(E)-N-[2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-yl]octadec-9-enamide

Systemtic Name: (E)-N-[2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-yl]octadec-9-enamide Openeye Name: (E)-N-[2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-yl]octadec-9-enamide CAS Name: (E)-N-[2-methyl-4,6-bis(methylthio)-5-pyrimidinyl]-9-octadecenamide IUPAC Name: (E)-N-[2-methyl-4,6-bis(methylsulfanyl)pyrimidin-5-yl]octadec-9-enamide Traditional Name: (E)-N-[2-methyl-4,6-bis(methylthio)pyrimidin-5-yl]octadec-9-enamide Formula: C25H43N3OS2 MolecularWeight: 465.75842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=C(N=C(N=C1SC)C)SC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=C(N=C(N=C1SC)C)SC

InChI

InChI=1S/C25H43N3OS2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(29)28-23-24(30-3)26-21(2)27-25(23)31-4/h12-13H,5-11,14-20H2,1-4H3,(H,28,29)/b13-12+