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

Systemtic Name: 5-[[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]methyl]-2-heptoxy-N-methyl-benzamide Openeye Name: 5-[[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]methyl]-2-heptoxy-N-methyl-benzamide CAS Name: 5-[[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]methyl]-2-heptoxy-N-methylbenzamide IUPAC Name: 5-[[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]methyl]-2-heptoxy-N-methylbenzamide Traditional Name: 5-[[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]methyl]-2-heptoxy-N-methyl-benzamide Formula: C32H36FN5O3S MolecularWeight: 589.723343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4)C(=O)NC

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)CN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4)C(=O)NC

InChI

InChI=1S/C32H36FN5O3S/c1-3-4-5-6-7-14-41-29-13-10-24(16-28(29)31(40)34-2)19-38-20-26(15-25-17-35-22-36-18-25)30(39)37-32(38)42-21-23-8-11-27(33)12-9-23/h8-13,16-18,20,22H,3-7,14-15,19,21H2,1-2H3,(H,34,40)