1-(2-chloranyl-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl)oxyethanolate

Systemtic Name: 1-(2-chloranyl-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl)oxyethanolate Openeye Name: 1-(2-chloro-5-nitro-6-thiomorpholino-pyrimidin-4-yl)oxyethanolate CAS Name: 1-[(2-chloro-5-nitro-6-thiomorpholin-4-yl-4-pyrimidinyl)oxy]ethanolate IUPAC Name: 1-(2-chloro-5-nitro-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanolate Traditional Name: 1-(2-chloro-5-nitro-6-thiomorpholino-pyrimidin-4-yl)oxyethanolate Formula: C10H12ClN4O4S- MolecularWeight: 319.74468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12ClN4O4S/c1-6(16)19-9-7(15(17)18)8(12-10(11)13-9)14-2-4-20-5-3-14/h6H,2-5H2,1H3/q-1