6-methyl-2-[[3-[(E)-N'-oxidanylcarbamimidoyl]phenyl]methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[[3-[(E)-N'-oxidanylcarbamimidoyl]phenyl]methylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[[3-[(E)-amino(hydroxyimino)methyl]phenyl]methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[[3-[(E)-aminocarbohydroximoyl]benzyl]thio]-6-methyl-pyrimidin-4-olate Formula: C13H13N4O2S- MolecularWeight: 289.33292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O2S/c1-8-5-11(18)16-13(15-8)20-7-9-3-2-4-10(6-9)12(14)17-19/h2-6,19H,7H2,1H3,(H2,14,17)(H,15,16,18)/p-1