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

Systemtic Name: 2-[4-(1-azanylethyl)-2-fluoranyl-phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[4-(1-aminoethyl)-2-fluoro-phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[4-(1-aminoethyl)-2-fluorophenyl]thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1-aminoethyl)-2-fluorophenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[4-(1-aminoethyl)-2-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=C(C=C(C=C2)C(C)N)F

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)C(C)N)F

InChI

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