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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-1-methyl-5-(5-pyrimidinylmethyl)-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-5-(pyrimidin-5-ylmethyl)pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-1-methyl-5-(5-pyrimidylmethyl)pyrimidin-4-one Formula: C17H15FN4OS MolecularWeight: 342.390603

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

Isomeric SMILES

CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

InChI

InChI=1S/C17H15FN4OS/c1-22-9-14(6-13-7-19-11-20-8-13)16(23)21-17(22)24-10-12-2-4-15(18)5-3-12/h2-5,7-9,11H,6,10H2,1H3