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

Systemtic Name: (E)-N-[4,6-bis(ethylsulfanyl)pyrimidin-5-yl]octadec-9-enamide Openeye Name: (E)-N-[4,6-bis(ethylsulfanyl)pyrimidin-5-yl]octadec-9-enamide CAS Name: (E)-N-[4,6-bis(ethylthio)-5-pyrimidinyl]-9-octadecenamide IUPAC Name: (E)-N-[4,6-bis(ethylsulfanyl)pyrimidin-5-yl]octadec-9-enamide Traditional Name: (E)-N-[4,6-bis(ethylthio)pyrimidin-5-yl]octadec-9-enamide Formula: C26H45N3OS2 MolecularWeight: 479.785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=C(N=CN=C1SCC)SCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=C(N=CN=C1SCC)SCC

InChI

InChI=1S/C26H45N3OS2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(30)29-24-25(31-5-2)27-22-28-26(24)32-6-3/h13-14,22H,4-12,15-21H2,1-3H3,(H,29,30)/b14-13+