2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[(4-fluorophenyl)methylthio]-5-(5-pyrimidinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-(pyrimidin-5-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[(4-fluorobenzyl)thio]-5-(5-pyrimidylmethyl)-1H-pyrimidin-6-one Formula: C16H13FN4OS MolecularWeight: 328.364023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=C(C(=O)N2)CC3=CN=CN=C3)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=C(C(=O)N2)CC3=CN=CN=C3)F

InChI

InChI=1S/C16H13FN4OS/c17-14-3-1-11(2-4-14)9-23-16-20-8-13(15(22)21-16)5-12-6-18-10-19-7-12/h1-4,6-8,10H,5,9H2,(H,20,21,22)