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

Systemtic Name: 2,2-dimethyl-1-(5-nitro-2-piperazin-1-yl-6-thiomorpholin-4-yl-pyrimidin-4-yl)oxy-propan-1-olate Openeye Name: 2,2-dimethyl-1-(5-nitro-2-piperazin-1-yl-6-thiomorpholino-pyrimidin-4-yl)oxy-propan-1-olate CAS Name: 2,2-dimethyl-1-[[5-nitro-2-(1-piperazinyl)-6-thiomorpholin-4-yl-4-pyrimidinyl]oxy]-1-propanolate IUPAC Name: 2,2-dimethyl-1-(5-nitro-2-piperazin-1-yl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxypropan-1-olate Traditional Name: 2,2-dimethyl-1-(5-nitro-2-piperazino-6-thiomorpholino-pyrimidin-4-yl)oxy-propan-1-olate Formula: C17H27N6O4S- MolecularWeight: 411.49908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N6O4S/c1-17(2,3)15(24)27-14-12(23(25)26)13(21-8-10-28-11-9-21)19-16(20-14)22-6-4-18-5-7-22/h15,18H,4-11H2,1-3H3/q-1