2-[(4-fluorophenyl)methylsulfanyl]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[(4-fluorophenyl)methylthio]-5-[(2-methoxy-5-pyrimidinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[(4-fluorobenzyl)thio]-5-[(2-methoxypyrimidin-5-yl)methyl]-1H-pyrimidin-6-one Formula: C17H15FN4O2S MolecularWeight: 358.390003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=N1)CC2=CN=C(NC2=O)SCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=NC=C(C=N1)CC2=CN=C(NC2=O)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN4O2S/c1-24-16-19-7-12(8-20-16)6-13-9-21-17(22-15(13)23)25-10-11-2-4-14(18)5-3-11/h2-5,7-9H,6,10H2,1H3,(H,21,22,23)