(E)-N-[4-(dimethylamino)-6-methylsulfanyl-pyrimidin-5-yl]octadec-9-enamide

Systemtic Name: (E)-N-[4-(dimethylamino)-6-methylsulfanyl-pyrimidin-5-yl]octadec-9-enamide Openeye Name: (E)-N-[4-(dimethylamino)-6-methylsulfanyl-pyrimidin-5-yl]octadec-9-enamide CAS Name: (E)-N-[4-(dimethylamino)-6-(methylthio)-5-pyrimidinyl]-9-octadecenamide IUPAC Name: (E)-N-[4-(dimethylamino)-6-methylsulfanylpyrimidin-5-yl]octadec-9-enamide Traditional Name: (E)-N-[4-(dimethylamino)-6-(methylthio)pyrimidin-5-yl]octadec-9-enamide Formula: C25H44N4OS MolecularWeight: 448.70806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44N4OS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(30)28-23-24(29(2)3)26-21-27-25(23)31-4/h12-13,21H,5-11,14-20H2,1-4H3,(H,28,30)/b13-12+