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

Systemtic Name: 2-[[2-fluoranyl-4-[(E)-N'-oxidanylcarbamimidoyl]phenyl]methylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[[2-fluoro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methylsulfanyl]pyrimidin-4-olate CAS Name: 2-[[4-[(E)-amino(hydroxyimino)methyl]-2-fluorophenyl]methylthio]-4-pyrimidinolate IUPAC Name: 2-[[2-fluoro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[[4-[(E)-aminocarbohydroximoyl]-2-fluoro-benzyl]thio]pyrimidin-4-olate Formula: C12H10FN4O2S- MolecularWeight: 293.296803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=NO)N)F)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C1=CC(=C(C=C1/C(=N\O)/N)F)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C12H11FN4O2S/c13-9-5-7(11(14)17-19)1-2-8(9)6-20-12-15-4-3-10(18)16-12/h1-5,19H,6H2,(H2,14,17)(H,15,16,18)/p-1