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

Systemtic Name: N-butyl-4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]cyclohexane-1-carboxamide Openeye Name: N-butyl-4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]cyclohexanecarboxamide CAS Name: N-butyl-4-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]-1-cyclohexanecarboxamide IUPAC Name: N-butyl-4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]cyclohexane-1-carboxamide Traditional Name: N-butyl-4-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]cyclohexanecarboxamide Formula: C27H32FN5O2S MolecularWeight: 509.638683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32FN5O2S/c1-2-3-12-31-25(34)21-6-10-24(11-7-21)33-16-22(13-20-14-29-18-30-15-20)26(35)32-27(33)36-17-19-4-8-23(28)9-5-19/h4-5,8-9,14-16,18,21,24H,2-3,6-7,10-13,17H2,1H3,(H,31,34)