2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-octadecyl-ethanamide

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-octadecyl-ethanamide Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-octadecyl-acetamide CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]-N-octadecylacetamide IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-octadecylacetamide Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]-N-stearyl-acetamide Formula: C36H52FN5O2S MolecularWeight: 637.893783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

InChI

InChI=1S/C36H52FN5O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-40-34(43)27-42-26-32(23-31-24-38-29-39-25-31)35(44)41-36(42)45-28-30-18-20-33(37)21-19-30/h18-21,24-26,29H,2-17,22-23,27-28H2,1H3,(H,40,43)