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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(4-iodophenyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(4-iodophenyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-1-(4-iodophenyl)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(4-iodophenyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-1-(4-iodophenyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C22H16FIN4OS MolecularWeight: 530.356513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C(=CN2C3=CC=C(C=C3)I)CC4=CN=CN=C4)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C(=CN2C3=CC=C(C=C3)I)CC4=CN=CN=C4)F

InChI

InChI=1S/C22H16FIN4OS/c23-18-3-1-15(2-4-18)13-30-22-27-21(29)17(9-16-10-25-14-26-11-16)12-28(22)20-7-5-19(24)6-8-20/h1-8,10-12,14H,9,13H2