(5-nitro-4-propan-2-yloxy-6-thiomorpholin-4-yl-pyrimidin-2-yl)sulfanylmethanolate

Systemtic Name: (5-nitro-4-propan-2-yloxy-6-thiomorpholin-4-yl-pyrimidin-2-yl)sulfanylmethanolate Openeye Name: (4-isopropoxy-5-nitro-6-thiomorpholino-pyrimidin-2-yl)sulfanylmethanolate CAS Name: [(5-nitro-4-propan-2-yloxy-6-thiomorpholin-4-yl-2-pyrimidinyl)thio]methanolate IUPAC Name: (5-nitro-4-propan-2-yloxy-6-thiomorpholin-4-ylpyrimidin-2-yl)sulfanylmethanolate Traditional Name: [(4-isopropoxy-5-nitro-6-thiomorpholino-pyrimidin-2-yl)thio]methanolate Formula: C12H17N4O4S2- MolecularWeight: 345.41778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)SC[O-]

Isomeric SMILES

CC(C)OC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)SC[O-]

InChI

InChI=1S/C12H17N4O4S2/c1-8(2)20-11-9(16(18)19)10(13-12(14-11)22-7-17)15-3-5-21-6-4-15/h8H,3-7H2,1-2H3/q-1