2-[(4E)-4-azanyl-4-hydroxyimino-butyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(4E)-4-azanyl-4-hydroxyimino-butyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(4E)-4-amino-4-hydroxyimino-butyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[(4E)-4-amino-4-hydroxyiminobutyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(4E)-4-amino-4-hydroxyiminobutyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[(4E)-4-amino-4-hydroximino-butyl]thio]-6-methyl-pyrimidin-4-olate Formula: C9H13N4O2S- MolecularWeight: 241.29012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCC(=NO)N)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C9H14N4O2S/c1-6-5-8(14)12-9(11-6)16-4-2-3-7(10)13-15/h5,15H,2-4H2,1H3,(H2,10,13)(H,11,12,14)/p-1