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

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(2-methylpyrimidin-5-yl)methyl]-4-oxidanylidene-pyrimidin-1-yl]-N-methyl-N-octyl-ethanamide Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(2-methylpyrimidin-5-yl)methyl]-4-oxo-pyrimidin-1-yl]-N-methyl-N-octyl-acetamide CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-5-[(2-methyl-5-pyrimidinyl)methyl]-4-oxo-1-pyrimidinyl]-N-methyl-N-octylacetamide IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(2-methylpyrimidin-5-yl)methyl]-4-oxopyrimidin-1-yl]-N-methyl-N-octylacetamide Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-[(2-methylpyrimidin-5-yl)methyl]pyrimidin-1-yl]-N-methyl-N-octyl-acetamide Formula: C28H36FN5O2S MolecularWeight: 525.681143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36FN5O2S/c1-4-5-6-7-8-9-14-33(3)26(35)19-34-18-24(15-23-16-30-21(2)31-17-23)27(36)32-28(34)37-20-22-10-12-25(29)13-11-22/h10-13,16-18H,4-9,14-15,19-20H2,1-3H3