1-[(2-fluorophenyl)methyl]-2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one

Systemtic Name: 1-[(2-fluorophenyl)methyl]-2-(phenylmethylsulfanyl)-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-1-[(2-fluorophenyl)methyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 1-[(2-fluorophenyl)methyl]-2-(phenylmethylthio)-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-1-[(2-fluorophenyl)methyl]-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-(benzylthio)-1-(2-fluorobenzyl)-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C23H19FN4OS MolecularWeight: 418.486563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=CN2CC3=CC=CC=C3F)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=CN2CC3=CC=CC=C3F)CC4=CN=CN=C4

InChI

InChI=1S/C23H19FN4OS/c24-21-9-5-4-8-19(21)13-28-14-20(10-18-11-25-16-26-12-18)22(29)27-23(28)30-15-17-6-2-1-3-7-17/h1-9,11-12,14,16H,10,13,15H2