N-tert-butyl-1-[2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]pyrimidin-4-yl]methanimine oxide

Systemtic Name: N-tert-butyl-1-[2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)carbamoyl]pyrimidin-4-yl]methanimine oxide Openeye Name: N-tert-butyl-1-[2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]pyrimidin-4-yl]methanimine oxide CAS Name: N-tert-butyl-1-[2-[[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-oxomethyl]-4-pyrimidinyl]methanimine oxide IUPAC Name: N-tert-butyl-1-[2-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)carbamoyl]pyrimidin-4-yl]methanimine oxide Traditional Name: N-tert-butyl-1-[2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]pyrimidin-4-yl]methanimine oxide Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+](=CC1=NC(=NC=C1)C(=O)NC(CS)C(=O)O)[O-]

Isomeric SMILES

CC(C)(C)/[N+](=C/C1=NC(=NC=C1)C(=O)NC(CS)C(=O)O)/[O-]

InChI

InChI=1S/C13H18N4O4S/c1-13(2,3)17(21)6-8-4-5-14-10(15-8)11(18)16-9(7-22)12(19)20/h4-6,9,22H,7H2,1-3H3,(H,16,18)(H,19,20)/b17-6-