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

Systemtic Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-phenethyl-acetamide CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]-N-phenethylacetamide IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-phenethylacetamide Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]-N-phenethyl-acetamide Formula: C26H24FN5O2S MolecularWeight: 489.564463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C26H24FN5O2S/c27-23-8-6-20(7-9-23)17-35-26-31-25(34)22(12-21-13-28-18-29-14-21)15-32(26)16-24(33)30-11-10-19-4-2-1-3-5-19/h1-9,13-15,18H,10-12,16-17H2,(H,30,33)