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

Systemtic Name: 2-[5-[[2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-4-oxidanylidene-pyrimidin-5-yl]methyl]-2-oxidanylidene-pyrimidin-1-yl]-N-octyl-ethanamide Openeye Name: 2-[5-[[2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-4-oxo-pyrimidin-5-yl]methyl]-2-oxo-pyrimidin-1-yl]-N-octyl-acetamide CAS Name: 2-[5-[[2-[(4-fluorophenyl)methylthio]-1-methyl-4-oxo-5-pyrimidinyl]methyl]-2-oxo-1-pyrimidinyl]-N-octylacetamide IUPAC Name: 2-[5-[[2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-4-oxopyrimidin-5-yl]methyl]-2-oxopyrimidin-1-yl]-N-octylacetamide Traditional Name: 2-[5-[[2-[(4-fluorobenzyl)thio]-4-keto-1-methyl-pyrimidin-5-yl]methyl]-2-keto-pyrimidin-1-yl]-N-octyl-acetamide Formula: C27H34FN5O3S MolecularWeight: 527.653963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)CN1C=C(C=NC1=O)CC2=CN(C(=NC2=O)SCC3=CC=C(C=C3)F)C

Isomeric SMILES

CCCCCCCCNC(=O)CN1C=C(C=NC1=O)CC2=CN(C(=NC2=O)SCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C27H34FN5O3S/c1-3-4-5-6-7-8-13-29-24(34)18-33-16-21(15-30-26(33)36)14-22-17-32(2)27(31-25(22)35)37-19-20-9-11-23(28)12-10-20/h9-12,15-17H,3-8,13-14,18-19H2,1-2H3,(H,29,34)