2-butan-2-ylsulfanyl-6-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-butan-2-ylsulfanyl-6-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one Openeye Name: 6-[(4-fluorophenyl)methyl]-5-methyl-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one IUPAC Name: 2-butan-2-ylsulfanyl-6-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one Traditional Name: 6-(4-fluorobenzyl)-5-methyl-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C16H19FN2OS MolecularWeight: 306.398263

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=C(C=C2)F)C

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=C(C=C2)F)C

InChI

InChI=1S/C16H19FN2OS/c1-4-10(2)21-16-18-14(11(3)15(20)19-16)9-12-5-7-13(17)8-6-12/h5-8,10H,4,9H2,1-3H3,(H,18,19,20)