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

Systemtic Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-hexyl-cyclohexane-1-carboxamide Openeye Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-hexyl-cyclohexanecarboxamide CAS Name: 4-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]-N-hexyl-1-cyclohexanecarboxamide IUPAC Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-hexylcyclohexane-1-carboxamide Traditional Name: 4-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]-N-hexyl-cyclohexanecarboxamide Formula: C29H36FN5O2S MolecularWeight: 537.691843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1CCC(CC1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

Isomeric SMILES

CCCCCCNC(=O)C1CCC(CC1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C29H36FN5O2S/c1-2-3-4-5-14-33-27(36)23-8-12-26(13-9-23)35-18-24(15-22-16-31-20-32-17-22)28(37)34-29(35)38-19-21-6-10-25(30)11-7-21/h6-7,10-11,16-18,20,23,26H,2-5,8-9,12-15,19H2,1H3,(H,33,36)