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

Systemtic Name: 1-ethyl-2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one Openeye Name: 1-ethyl-2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one CAS Name: 1-ethyl-2-[(4-fluorophenyl)methylthio]-5-[(1-methyl-4-pyrazolyl)methyl]-4-pyrimidinone IUPAC Name: 1-ethyl-2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one Traditional Name: 1-ethyl-2-[(4-fluorobenzyl)thio]-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-one Formula: C18H19FN4OS MolecularWeight: 358.433063

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN(N=C3)C

Isomeric SMILES

CCN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN(N=C3)C

InChI

InChI=1S/C18H19FN4OS/c1-3-23-11-15(8-14-9-20-22(2)10-14)17(24)21-18(23)25-12-13-4-6-16(19)7-5-13/h4-7,9-11H,3,8,12H2,1-2H3