2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(2-pentylphenyl)ethyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(2-pentylphenyl)ethyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(2-pentylphenyl)ethyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-1-[2-(2-pentylphenyl)ethyl]-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(2-pentylphenyl)ethyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 1-[2-(2-amylphenyl)ethyl]-2-[(4-fluorobenzyl)thio]-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C29H31FN4OS MolecularWeight: 502.646043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC=C1CCN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

Isomeric SMILES

CCCCCC1=CC=CC=C1CCN2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C29H31FN4OS/c1-2-3-4-7-24-8-5-6-9-25(24)14-15-34-19-26(16-23-17-31-21-32-18-23)28(35)33-29(34)36-20-22-10-12-27(30)13-11-22/h5-6,8-13,17-19,21H,2-4,7,14-16,20H2,1H3