2-[(3E)-3-azanyl-3-hydroxyimino-propyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(3E)-3-azanyl-3-hydroxyimino-propyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(3E)-3-amino-3-hydroxyimino-propyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[(3E)-3-amino-3-hydroxyiminopropyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(3E)-3-amino-3-hydroxyiminopropyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[(3E)-3-amino-3-hydroximino-propyl]thio]-6-methyl-pyrimidin-4-olate Formula: C8H11N4O2S- MolecularWeight: 227.26354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N4O2S/c1-5-4-7(13)11-8(10-5)15-3-2-6(9)12-14/h4,14H,2-3H2,1H3,(H2,9,12)(H,10,11,13)/p-1