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

Systemtic Name: 1-[(2-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one Openeye Name: 1-[(2-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one CAS Name: 1-[(2-fluorophenyl)methylthio]-5-[(1-methyl-4-pyrazolyl)methyl]-4-pyrimidinone IUPAC Name: 1-[(2-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one Traditional Name: 1-[(2-fluorobenzyl)thio]-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-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=CC=C3F

Isomeric SMILES

CN1C=C(C=N1)CC2=CN(C=NC2=O)SCC3=CC=CC=C3F

InChI

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