5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-6-(sulfanylmethyl)-1H-pyrimidin-2-olate

Systemtic Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-6-(sulfanylmethyl)-1H-pyrimidin-2-olate Openeye Name: 5-(tert-butoxycarbonylamino)-4-oxo-6-(sulfanylmethyl)-1H-pyrimidin-2-olate CAS Name: 6-(mercaptomethyl)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-(sulfanylmethyl)-1H-pyrimidin-2-olate Traditional Name: 5-(tert-butoxycarbonylamino)-4-keto-6-(mercaptomethyl)-1H-pyrimidin-2-olate Formula: C10H14N3O4S- MolecularWeight: 272.30086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(NC(=NC1=O)[O-])CS

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(NC(=NC1=O)[O-])CS

InChI

InChI=1S/C10H15N3O4S/c1-10(2,3)17-9(16)12-6-5(4-18)11-8(15)13-7(6)14/h18H,4H2,1-3H3,(H,12,16)(H2,11,13,14,15)/p-1