1-(2-methylsulfanyl-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl)oxyethane-1,1-diol

Systemtic Name: 1-(2-methylsulfanyl-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl)oxyethane-1,1-diol Openeye Name: 1-(2-methylsulfanyl-5-nitro-6-thiomorpholino-pyrimidin-4-yl)oxyethane-1,1-diol CAS Name: 1-[[2-(methylthio)-5-nitro-6-thiomorpholin-4-yl-4-pyrimidinyl]oxy]ethane-1,1-diol IUPAC Name: 1-(2-methylsulfanyl-5-nitro-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethane-1,1-diol Traditional Name: 1-[2-(methylthio)-5-nitro-6-thiomorpholino-pyrimidin-4-yl]oxyethane-1,1-diol Formula: C11H16N4O5S2 MolecularWeight: 348.39854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O5S2/c1-11(16,17)20-9-7(15(18)19)8(12-10(13-9)21-2)14-3-5-22-6-4-14/h16-17H,3-6H2,1-2H3