2-[[2-fluoranyl-4-[(E)-N'-oxidanylcarbamimidoyl]phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[[2-fluoranyl-4-[(E)-N'-oxidanylcarbamimidoyl]phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[[2-fluoro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[[4-[(E)-amino(hydroxyimino)methyl]-2-fluorophenyl]methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[[2-fluoro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[[4-[(E)-aminocarbohydroximoyl]-2-fluoro-benzyl]thio]-6-methyl-pyrimidin-4-olate Formula: C13H12FN4O2S- MolecularWeight: 307.323383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=C(C=C(C=C2)C(=NO)N)F)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=C(C=C(C=C2)/C(=N\O)/N)F)[O-]

InChI

InChI=1S/C13H13FN4O2S/c1-7-4-11(19)17-13(16-7)21-6-9-3-2-8(5-10(9)14)12(15)18-20/h2-5,20H,6H2,1H3,(H2,15,18)(H,16,17,19)/p-1