2,2-dimethyl-1-(2-methylsulfanyl-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl)oxy-propan-1-olate

Systemtic Name: 2,2-dimethyl-1-(2-methylsulfanyl-5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl)oxy-propan-1-olate Openeye Name: 2,2-dimethyl-1-(2-methylsulfanyl-5-nitro-6-thiomorpholino-pyrimidin-4-yl)oxy-propan-1-olate CAS Name: 2,2-dimethyl-1-[[2-(methylthio)-5-nitro-6-thiomorpholin-4-yl-4-pyrimidinyl]oxy]-1-propanolate IUPAC Name: 2,2-dimethyl-1-(2-methylsulfanyl-5-nitro-6-thiomorpholin-4-ylpyrimidin-4-yl)oxypropan-1-olate Traditional Name: 2,2-dimethyl-1-[2-(methylthio)-5-nitro-6-thiomorpholino-pyrimidin-4-yl]oxy-propan-1-olate Formula: C14H21N4O4S2- MolecularWeight: 373.47094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N4O4S2/c1-14(2,3)12(19)22-11-9(18(20)21)10(15-13(16-11)23-4)17-5-7-24-8-6-17/h12H,5-8H2,1-4H3/q-1