3-fluoranyl-4-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarboximidamide

Systemtic Name: 3-fluoranyl-4-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarboximidamide Openeye Name: 3-fluoro-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzamidine CAS Name: 3-fluoro-4-[[(6-oxo-1H-pyrimidin-2-yl)thio]methyl]benzenecarboximidamide IUPAC Name: 3-fluoro-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarboximidamide Traditional Name: 3-fluoro-4-[[(6-keto-1H-pyrimidin-2-yl)thio]methyl]benzamidine Formula: C12H11FN4OS MolecularWeight: 278.305343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=N)N)F)CSC2=NC=CC(=O)N2

Isomeric SMILES

C1=CC(=C(C=C1C(=N)N)F)CSC2=NC=CC(=O)N2

InChI

InChI=1S/C12H11FN4OS/c13-9-5-7(11(14)15)1-2-8(9)6-19-12-16-4-3-10(18)17-12/h1-5H,6H2,(H3,14,15)(H,16,17,18)