4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-yl]-N-octyl-butanamide

Systemtic Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-yl]-N-octyl-butanamide Openeye Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-yl]-N-octyl-butanamide CAS Name: 4-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1H-pyrimidin-6-yl]-N-octylbutanamide IUPAC Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-yl]-N-octylbutanamide Traditional Name: 4-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)-1H-pyrimidin-6-yl]-N-octyl-butyramide Formula: C28H36FN5O2S MolecularWeight: 525.681143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)CCCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

Isomeric SMILES

CCCCCCCCNC(=O)CCCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

InChI

InChI=1S/C28H36FN5O2S/c1-2-3-4-5-6-7-15-32-26(35)10-8-9-25-24(16-22-17-30-20-31-18-22)27(36)34-28(33-25)37-19-21-11-13-23(29)14-12-21/h11-14,17-18,20H,2-10,15-16,19H2,1H3,(H,32,35)(H,33,34,36)