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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[(4-fluorophenyl)methylthio]-5-[(1-methyl-4-pyrazolyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[(4-fluorobenzyl)thio]-5-[(1-methylpyrazol-4-yl)methyl]-1H-pyrimidin-6-one Formula: C16H15FN4OS MolecularWeight: 330.379903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CC2=CN=C(NC2=O)SCC3=CC=C(C=C3)F

Isomeric SMILES

CN1C=C(C=N1)CC2=CN=C(NC2=O)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C16H15FN4OS/c1-21-9-12(7-19-21)6-13-8-18-16(20-15(13)22)23-10-11-2-4-14(17)5-3-11/h2-5,7-9H,6,10H2,1H3,(H,18,20,22)