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

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-tridecyl-ethanamide Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-tridecyl-acetamide CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]-N-tridecylacetamide IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-tridecylacetamide Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]-N-tridecyl-acetamide Formula: C31H42FN5O2S MolecularWeight: 567.760883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42FN5O2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-35-29(38)22-37-21-27(18-26-19-33-24-34-20-26)30(39)36-31(37)40-23-25-13-15-28(32)16-14-25/h13-16,19-21,24H,2-12,17-18,22-23H2,1H3,(H,35,38)