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

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxidanylidene-pyrimidin-5-yl)methyl]-4-oxidanylidene-pyrimidin-1-yl]-N-methyl-N-octyl-ethanamide Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxo-pyrimidin-5-yl)methyl]-4-oxo-pyrimidin-1-yl]-N-methyl-N-octyl-acetamide CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-5-[(1-methyl-2-oxo-5-pyrimidinyl)methyl]-4-oxo-1-pyrimidinyl]-N-methyl-N-octylacetamide IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxopyrimidin-5-yl)methyl]-4-oxopyrimidin-1-yl]-N-methyl-N-octylacetamide Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-[(2-keto-1-methyl-pyrimidin-5-yl)methyl]pyrimidin-1-yl]-N-methyl-N-octyl-acetamide Formula: C28H36FN5O3S MolecularWeight: 541.680543

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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(=O)N=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C28H36FN5O3S/c1-4-5-6-7-8-9-14-32(2)25(35)19-34-18-23(15-22-16-30-27(37)33(3)17-22)26(36)31-28(34)38-20-21-10-12-24(29)13-11-21/h10-13,16-18H,4-9,14-15,19-20H2,1-3H3