4-[[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]methyl]-N-pentyl-benzamide

Systemtic Name: 4-[[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]methyl]-N-pentyl-benzamide Openeye Name: 4-[[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]methyl]-N-pentyl-benzamide CAS Name: 4-[[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]methyl]-N-pentylbenzamide IUPAC Name: 4-[[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]methyl]-N-pentylbenzamide Traditional Name: N-amyl-4-[[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]methyl]benzamide Formula: C29H30FN5O2S MolecularWeight: 531.644203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30FN5O2S/c1-2-3-4-13-33-27(36)24-9-5-21(6-10-24)17-35-18-25(14-23-15-31-20-32-16-23)28(37)34-29(35)38-19-22-7-11-26(30)12-8-22/h5-12,15-16,18,20H,2-4,13-14,17,19H2,1H3,(H,33,36)