N-[6-(4-fluorophenyl)hexyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]ethanamide

Systemtic Name: N-[6-(4-fluorophenyl)hexyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]ethanamide Openeye Name: N-[6-(4-fluorophenyl)hexyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]acetamide CAS Name: N-[6-(4-fluorophenyl)hexyl]-2-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]acetamide IUPAC Name: N-[6-(4-fluorophenyl)hexyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]acetamide Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]-N-[6-(4-fluorophenyl)hexyl]acetamide Formula: C30H31F2N5O2S MolecularWeight: 563.661246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCNC(=O)CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4)F

Isomeric SMILES

C1=CC(=CC=C1CCCCCCNC(=O)CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4)F

InChI

InChI=1S/C30H31F2N5O2S/c31-26-10-6-22(7-11-26)5-3-1-2-4-14-35-28(38)19-37-18-25(15-24-16-33-21-34-17-24)29(39)36-30(37)40-20-23-8-12-27(32)13-9-23/h6-13,16-18,21H,1-5,14-15,19-20H2,(H,35,38)