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

Systemtic Name: 1-(5-cyano-2-piperazin-1-yl-6-thiomorpholin-4-yl-pyrimidin-4-yl)oxyethane-1,1-diolate Openeye Name: 1-(5-cyano-2-piperazin-1-yl-6-thiomorpholino-pyrimidin-4-yl)oxyethane-1,1-diolate CAS Name: 1-[[5-cyano-2-(1-piperazinyl)-6-thiomorpholin-4-yl-4-pyrimidinyl]oxy]ethane-1,1-diolate IUPAC Name: 1-(5-cyano-2-piperazin-1-yl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethane-1,1-diolate Traditional Name: 1-(5-cyano-2-piperazino-6-thiomorpholino-pyrimidin-4-yl)oxyethane-1,1-diolate Formula: C15H20N6O3S-2 MolecularWeight: 364.4227

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Descriptors Computed from Structure

Canonical SMILES:

CC([O-])([O-])OC1=NC(=NC(=C1C#N)N2CCSCC2)N3CCNCC3

Isomeric SMILES

CC([O-])([O-])OC1=NC(=NC(=C1C#N)N2CCSCC2)N3CCNCC3

InChI

InChI=1S/C15H20N6O3S/c1-15(22,23)24-13-11(10-16)12(20-6-8-25-9-7-20)18-14(19-13)21-4-2-17-3-5-21/h17H,2-9H2,1H3/q-2