2-[2-(1-azanylethyl)-3-fluoranyl-phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(1-azanylethyl)-3-fluoranyl-phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(1-aminoethyl)-3-fluoro-phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(1-aminoethyl)-3-fluorophenyl]thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(1-aminoethyl)-3-fluorophenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(1-aminoethyl)-3-fluoro-phenyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C13H14FN3OS MolecularWeight: 279.333163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=CC=CC(=C2C(C)N)F

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=CC=CC(=C2C(C)N)F

InChI

InChI=1S/C13H14FN3OS/c1-7-6-11(18)17-13(16-7)19-10-5-3-4-9(14)12(10)8(2)15/h3-6,8H,15H2,1-2H3,(H,16,17,18)