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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(4-hexylphenyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(4-hexylphenyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-1-(4-hexylphenyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(4-hexylphenyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-1-(4-hexylphenyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C28H29FN4OS MolecularWeight: 488.619463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C28H29FN4OS/c1-2-3-4-5-6-21-9-13-26(14-10-21)33-18-24(15-23-16-30-20-31-17-23)27(34)32-28(33)35-19-22-7-11-25(29)12-8-22/h7-14,16-18,20H,2-6,15,19H2,1H3