1-(5-nitro-2-piperazin-1-yl-6-thiomorpholin-4-yl-pyrimidin-4-yl)oxyethane-1,1-diolate

Systemtic Name: 1-(5-nitro-2-piperazin-1-yl-6-thiomorpholin-4-yl-pyrimidin-4-yl)oxyethane-1,1-diolate Openeye Name: 1-(5-nitro-2-piperazin-1-yl-6-thiomorpholino-pyrimidin-4-yl)oxyethane-1,1-diolate CAS Name: 1-[[5-nitro-2-(1-piperazinyl)-6-thiomorpholin-4-yl-4-pyrimidinyl]oxy]ethane-1,1-diolate IUPAC Name: 1-(5-nitro-2-piperazin-1-yl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethane-1,1-diolate Traditional Name: 1-(5-nitro-2-piperazino-6-thiomorpholino-pyrimidin-4-yl)oxyethane-1,1-diolate Formula: C14H20N6O5S-2 MolecularWeight: 384.4108

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Descriptors Computed from Structure

Canonical SMILES:

CC([O-])([O-])OC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)N3CCNCC3

Isomeric SMILES

CC([O-])([O-])OC1=NC(=NC(=C1[N+](=O)[O-])N2CCSCC2)N3CCNCC3

InChI

InChI=1S/C14H20N6O5S/c1-14(21,22)25-12-10(20(23)24)11(18-6-8-26-9-7-18)16-13(17-12)19-4-2-15-3-5-19/h15H,2-9H2,1H3/q-2