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

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-nonyl-ethanamide Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-nonyl-acetamide CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]-N-nonylacetamide IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-nonylacetamide Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]-N-nonyl-acetamide Formula: C27H34FN5O2S MolecularWeight: 511.654563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34FN5O2S/c1-2-3-4-5-6-7-8-13-31-25(34)18-33-17-23(14-22-15-29-20-30-16-22)26(35)32-27(33)36-19-21-9-11-24(28)12-10-21/h9-12,15-17,20H,2-8,13-14,18-19H2,1H3,(H,31,34)